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: 1
Patents: 241.04088 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe