CID 2771802

66630-72-6

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)O

InChI

InChI=1S/C14H10N2O2/c17-14(18)10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,(H,15,16)(H,17,18)

InChIKey

LZGYSXDYTDCYCR-UHFFFAOYSA-N

Compound name

2-phenyl-1H-benzimidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 238.07423 Da
Monoisotopic Mass: 2.7
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]+	239.081506	150.7
[M+Na]+	261.063448	160.6
[M-H]-	237.066954	154.1
[M+NH4]+	256.108053	167.0
[M+K]+	277.037388	154.8
[M+H-H2O]+	221.071490	143.0
[M+HCOO]-	283.072431	171.1
[M+CH3COO]-	297.088081	163.0
[M+Na-2H]-	259.048896	156.7
[M]+	238.07368142	150.5
[M]-	238.07477858	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe