CID 1134151

4-[(cyclopropylamino)sulfonyl]benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₄S

SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H11NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2,(H,12,13)

InChIKey

ZVLAZIIUYHMWIM-UHFFFAOYSA-N

Compound name

4-(cyclopropylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 21
Patents: 241.04088 Da
Monoisotopic Mass: 1.0
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]+	242.04816	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

Literature stripe

literature stripe

Patent stripe

patents stripe