CID 51057181

(2-((2-chlorobenzylidene)amino)phenyl)acetic acid

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₂

SMILES

C1=CC=C(C(=C1)CC(=O)O)N=CC2=CC=CC=C2Cl

InChI

InChI=1S/C15H12ClNO2/c16-13-7-3-1-6-12(13)10-17-14-8-4-2-5-11(14)9-15(18)19/h1-8,10H,9H2,(H,18,19)

InChIKey

OGRWTFARUMMHOL-UHFFFAOYSA-N

Compound name

2-[2-[(2-chlorophenyl)methylideneamino]phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.05566 Da
Monoisotopic Mass: 3.3
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]+	274.062936	159.7
[M+Na]+	296.044878	168.0
[M-H]-	272.048384	166.5
[M+NH4]+	291.089483	176.4
[M+K]+	312.018818	162.4
[M+H-H2O]+	256.052920	152.8
[M+HCOO]-	318.053861	180.1
[M+CH3COO]-	332.069511	198.5
[M+Na-2H]-	294.030326	164.4
[M]+	273.05511142	162.2
[M]-	273.05620858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.