CID 853876

2',3'-dichlorophthalanilic acid

Structural Information

Molecular Formula

C₁₄H₉Cl₂NO₃

SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(C(=CC=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H9Cl2NO3/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(19)20/h1-7H,(H,17,18)(H,19,20)

InChIKey

YVJLYTBSRNFNJA-UHFFFAOYSA-N

Compound name

2-[(2,3-dichlorophenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 308.99594 Da
Monoisotopic Mass: 3.5
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]+	310.00322	162.7
[M+Na]+	331.98516	171.9
[M-H]-	307.98866	168.1
[M+NH4]+	327.02976	177.9
[M+K]+	347.95910	165.7
[M+H-H2O]+	291.99320	157.5
[M+HCOO]-	353.99414	176.2
[M+CH3COO]-	368.00979	201.8
[M+Na-2H]-	329.97061	165.1
[M]+	308.99539	165.8
[M]-	308.99649	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe