CID 2345109

3-[(2-chlorophenyl)(prop-2-en-1-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₄S

SMILES

C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H14ClNO4S/c1-2-10-18(15-9-4-3-8-14(15)17)23(21,22)13-7-5-6-12(11-13)16(19)20/h2-9,11H,1,10H2,(H,19,20)

InChIKey

HEKMQWWKGCTPHN-UHFFFAOYSA-N

Compound name

3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.0332 Da
Monoisotopic Mass: 3.4
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]+	352.040476	175.6
[M+Na]+	374.022418	183.4
[M-H]-	350.025924	182.7
[M+NH4]+	369.067023	189.4
[M+K]+	389.996358	177.9
[M+H-H2O]+	334.030460	169.1
[M+HCOO]-	396.031401	188.7
[M+CH3COO]-	410.047051	209.8
[M+Na-2H]-	372.007866	177.6
[M]+	351.03265142	181.1
[M]-	351.03374858	181.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.