CID 45496800

3-[(cyclopropylsulfonyl)amino]benzoic acid

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]+ 242.04816 154.6
[M+Na]+ 264.03010 165.4
[M+NH4]+ 259.07470 161.7
[M+K]+ 280.00404 161.2
[M-H]- 240.03360 162.5
[M+Na-2H]- 262.01555 162.0
[M]+ 241.04033 159.7
[M]- 241.04143 159.7
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.