CID 3040091

N-(4-chloro-1-naphthyl)anthranilic acid

Structural Information

Molecular Formula

C₁₇H₁₂ClNO₂

SMILES

C1=CC=C2C(=C1)C(=CC=C2Cl)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H12ClNO2/c18-14-9-10-16(12-6-2-1-5-11(12)14)19-15-8-4-3-7-13(15)17(20)21/h1-10,19H,(H,20,21)

InChIKey

LWMDDUPXLAODSE-UHFFFAOYSA-N

Compound name

2-[(4-chloronaphthalen-1-yl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 297.05566 Da
Monoisotopic Mass: 5.4
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]+	298.062936	164.5
[M+Na]+	320.044878	173.3
[M-H]-	296.048384	171.0
[M+NH4]+	315.089483	180.6
[M+K]+	336.018818	166.7
[M+H-H2O]+	280.052920	157.6
[M+HCOO]-	342.053861	182.2
[M+CH3COO]-	356.069511	176.2
[M+Na-2H]-	318.030326	170.3
[M]+	297.05511142	166.0
[M]-	297.05620858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe