CID 23133799

220798-42-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

187.03032 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.037596 135.7
[M+Na]+ 210.019538 144.3
[M-H]- 186.023044 138.1
[M+NH4]+ 205.064143 154.7
[M+K]+ 225.993478 140.9
[M+H-H2O]+ 170.027580 130.4
[M+HCOO]- 232.028521 153.8
[M+CH3COO]- 246.044171 176.7
[M+Na-2H]- 208.004986 140.5
[M]+ 187.02977142 136.0
[M]- 187.03086858 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

No literature data available for this compound.

Patent stripe

patents stripe