CID 10081162

4-(hydroxymethyl)benzenesulfonamide

Structural Information

Molecular Formula
C7H9NO3S
SMILES
C1=CC(=CC=C1CO)S(=O)(=O)N
InChI
InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
InChIKey
UULCVOIRJRJPQS-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

58
References

188
Patents

187.03032 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 135.7
[M+Na]+ 210.01954 144.3
[M-H]- 186.02304 138.1
[M+NH4]+ 205.06414 154.7
[M+K]+ 225.99348 140.9
[M+H-H2O]+ 170.02758 130.4
[M+HCOO]- 232.02852 153.8
[M+CH3COO]- 246.04417 176.7
[M+Na-2H]- 208.00499 140.5
[M]+ 187.02977 136.0
[M]- 187.03087 136.0
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