CID 12553491

2-hydroxybenzene-1-sulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.99434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00162 128.7
[M+Na]+ 198.98356 138.8
[M-H]- 174.98706 130.7
[M+NH4]+ 194.02816 148.9
[M+K]+ 214.95750 135.9
[M+H-H2O]+ 158.99160 123.2
[M+HCOO]- 220.99254 145.9
[M+CH3COO]- 235.00819 172.1
[M+Na-2H]- 196.96901 134.2
[M]+ 175.99379 129.5
[M]- 175.99489 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