CID 151812

13625-57-5

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO₂

SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H9Cl2NO2/c14-9-5-3-6-10(15)12(9)16-11-7-2-1-4-8(11)13(17)18/h1-7,16H,(H,17,18)

InChIKey

FAFKIFYBYASEDL-UHFFFAOYSA-N

Compound name

2-(2,6-dichloroanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 101
Patents: 281.00104 Da
Monoisotopic Mass: 5.6
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]+	282.00832	156.8
[M+Na]+	303.99026	166.5
[M-H]-	279.99376	162.1
[M+NH4]+	299.03486	173.3
[M+K]+	319.96420	159.9
[M+H-H2O]+	263.99830	151.7
[M+HCOO]-	325.99924	171.1
[M+CH3COO]-	340.01489	197.2
[M+Na-2H]-	301.97571	160.8
[M]+	281.00049	159.4
[M]-	281.00159	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe