CID 295154

3'-chloro-4'-methylphthalanilic acid

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₃

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C15H12ClNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)

InChIKey

KOYNWVOKPNESLL-UHFFFAOYSA-N

Compound name

2-[(3-chloro-4-methylphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 289.05057 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]+	290.05785	162.1
[M+Na]+	312.03979	170.5
[M-H]-	288.04329	168.1
[M+NH4]+	307.08439	177.7
[M+K]+	328.01373	165.3
[M+H-H2O]+	272.04783	155.9
[M+HCOO]-	334.04877	180.3
[M+CH3COO]-	348.06442	200.4
[M+Na-2H]-	310.02524	164.6
[M]+	289.05002	164.1
[M]-	289.05112	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe