CID 4784

Phenylmethylsulfonyl fluoride

Structural Information

Molecular Formula
C7H7FO2S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)F
InChI
InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
YBYRMVIVWMBXKQ-UHFFFAOYSA-N
Compound name
phenylmethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4784
References

74514
Patents

174.01508 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02236 130.1
[M+Na]+ 197.00430 139.5
[M-H]- 173.00780 133.1
[M+NH4]+ 192.04890 150.9
[M+K]+ 212.97824 136.8
[M+H-H2O]+ 157.01234 124.1
[M+HCOO]- 219.01328 148.3
[M+CH3COO]- 233.02893 174.5
[M+Na-2H]- 194.98975 136.0
[M]+ 174.01453 131.3
[M]- 174.01563 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe