CID 223382

4'-chlorosuccinanilic acid

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C10H10ClNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChIKey

UPSNSRKMOHOEEO-UHFFFAOYSA-N

Compound name

4-(4-chloroanilino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 227.03493 Da
Monoisotopic Mass: 1.2
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]+	228.042206	146.0
[M+Na]+	250.024148	153.4
[M-H]-	226.027654	148.4
[M+NH4]+	245.068753	163.9
[M+K]+	265.998088	149.7
[M+H-H2O]+	210.032190	141.0
[M+HCOO]-	272.033131	164.4
[M+CH3COO]-	286.048781	187.0
[M+Na-2H]-	248.009596	149.9
[M]+	227.03438142	147.7
[M]-	227.03547858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe