CID 45496800

1203110-28-4

Structural Information

Molecular Formula
C10H11NO4S
SMILES
C1CC1S(=O)(=O)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H11NO4S/c12-10(13)7-2-1-3-8(6-7)11-16(14,15)9-4-5-9/h1-3,6,9,11H,4-5H2,(H,12,13)
InChIKey
BFNQJTNDRTVEPZ-UHFFFAOYSA-N
Compound name
3-(cyclopropylsulfonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.048156 144.8
[M+Na]+ 264.030098 153.4
[M-H]- 240.033604 151.1
[M+NH4]+ 259.074703 156.7
[M+K]+ 280.004038 149.1
[M+H-H2O]+ 224.038140 138.6
[M+HCOO]- 286.039081 162.6
[M+CH3COO]- 300.054731 190.2
[M+Na-2H]- 262.015546 149.3
[M]+ 241.04033142 148.6
[M]- 241.04142858 148.6
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.