CID 20116535

5-acetamido-2-methanesulfonamidobenzoic acid

Structural Information

Molecular Formula
C10H12N2O5S
SMILES
CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)O
InChI
InChI=1S/C10H12N2O5S/c1-6(13)11-7-3-4-9(12-18(2,16)17)8(5-7)10(14)15/h3-5,12H,1-2H3,(H,11,13)(H,14,15)
InChIKey
VQEJIWHHKQFWPB-UHFFFAOYSA-N
Compound name
5-acetamido-2-(methanesulfonamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0467 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05398 156.0
[M+Na]+ 295.03592 162.5
[M-H]- 271.03942 158.5
[M+NH4]+ 290.08052 171.0
[M+K]+ 311.00986 160.0
[M+H-H2O]+ 255.04396 149.5
[M+HCOO]- 317.04490 173.2
[M+CH3COO]- 331.06055 196.8
[M+Na-2H]- 293.02137 158.6
[M]+ 272.04615 158.0
[M]- 272.04725 158.0
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

No patent data available for this compound.