CID 1299802

727689-55-6

Structural Information

Molecular Formula

C₁₃H₁₀ClNO₄S

SMILES

C1=CC(=CC(=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H10ClNO4S/c14-10-2-1-3-12(8-10)20(18,19)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17)

InChIKey

JQVIQJNDKGSTPV-UHFFFAOYSA-N

Compound name

4-[(3-chlorophenyl)sulfonylamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 311.0019 Da
Monoisotopic Mass: 2.4
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]+	312.00918	165.5
[M+Na]+	333.99112	178.2
[M+NH4]+	329.03572	172.5
[M+K]+	349.96506	170.7
[M-H]-	309.99462	168.0
[M+Na-2H]-	331.97657	173.0
[M]+	311.00135	168.7
[M]-	311.00245	168.7

Literature stripe

literature stripe

Patent stripe

patents stripe