CID 3046662

62508-60-5

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₂

SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)CC(=O)O)Cl

InChI

InChI=1S/C15H11ClN2O2/c16-11-4-2-10(3-5-11)15-17-12-6-1-9(8-14(19)20)7-13(12)18-15/h1-7H,8H2,(H,17,18)(H,19,20)

InChIKey

XXNSJWAXRNYHGW-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 286.0509 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]+	287.058176	161.7
[M+Na]+	309.040118	172.7
[M-H]-	285.043624	165.0
[M+NH4]+	304.084723	177.2
[M+K]+	325.014058	165.2
[M+H-H2O]+	269.048160	154.3
[M+HCOO]-	331.049101	177.0
[M+CH3COO]-	345.064751	173.4
[M+Na-2H]-	307.025566	165.9
[M]+	286.05035142	164.4
[M]-	286.05144858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe