CID 308444

368-87-6

Structural Information

Molecular Formula
C6H5FO3S
SMILES
C1=CC(=CC=C1O)S(=O)(=O)F
InChI
InChI=1S/C6H5FO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H
InChIKey
FYIHSKNNTBQVMV-UHFFFAOYSA-N
Compound name
4-hydroxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

175.99434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.001616 128.7
[M+Na]+ 198.983558 138.8
[M-H]- 174.987064 130.7
[M+NH4]+ 194.028163 148.9
[M+K]+ 214.957498 135.9
[M+H-H2O]+ 158.991600 123.2
[M+HCOO]- 220.992541 145.9
[M+CH3COO]- 235.008191 172.1
[M+Na-2H]- 196.969006 134.2
[M]+ 175.99379142 129.5
[M]- 175.99488858 129.5
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