CID 45496801

2-cyclopropanesulfonamidobenzoic acid

Structural Information

Molecular Formula
C10H11NO4S
SMILES
C1CC1S(=O)(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C10H11NO4S/c12-10(13)8-3-1-2-4-9(8)11-16(14,15)7-5-6-7/h1-4,7,11H,5-6H2,(H,12,13)
InChIKey
FQDKWAZAHBVUAD-UHFFFAOYSA-N
Compound name
2-(cyclopropylsulfonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 144.8
[M+Na]+ 264.03010 153.4
[M-H]- 240.03360 151.1
[M+NH4]+ 259.07470 156.7
[M+K]+ 280.00404 149.1
[M+H-H2O]+ 224.03814 138.6
[M+HCOO]- 286.03908 162.6
[M+CH3COO]- 300.05473 190.2
[M+Na-2H]- 262.01555 149.3
[M]+ 241.04033 148.6
[M]- 241.04143 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.