CID 295156

4'-chloro-2'-methylphthalanilic acid

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₃

SMILES

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

InChI

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

InChIKey

GFWXXEUOKBFFLV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	290.057846	162.1
[M+Na]+	312.039788	170.5
[M-H]-	288.043294	168.1
[M+NH4]+	307.084393	177.7
[M+K]+	328.013728	165.3
[M+H-H2O]+	272.047830	155.9
[M+HCOO]-	334.048771	180.3
[M+CH3COO]-	348.064421	200.4
[M+Na-2H]-	310.025236	164.6
[M]+	289.05002142	164.1
[M]-	289.05111858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe