Phenylmethanesulfonyl Fluoride
Phenylmethanesulfonyl_fluoride synonyms
Benzenemethanesulfonyl fluoride; alpha-Toluenesulphonyl fluoride; 4-methylbenzenesulfonyl fluoride; Benzylsulphonyl fluoride; alpha-Toluenesulfonyl fluoride; Benzylsulfonyl fluoride; PMSF; Phenylmethylsulfonyl fluoride
Graphical representations:
View large 3D structure
Molecular Formula: C7H7O2FS
Natural Isotopic Abundance Mass: 174.1926832
Mono-Isotopic Molecular Masses:
- C12N14: 174.0150783589
- C13N14: 181.0385622235
- C12N15: 174.0150783589
- C13N15: 181.0385622235
InChI string: InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
PubChem Compound (CID): 4784CAS Registry number: 329-98-6
MMCD: cq_03894
CAS Registry number: 329-98-6
EINECS: 206-350-2
KEGG Compound ID: C06747
NMRShiftDB: 20200264
BioCyc: CPD-5541
Beilstein Handbook Reference: 3-11-00-00331
ChemIDplus: 000329986
NIST: 217428180
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)