CID 619876

92437-42-8

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C15H12N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)

InChIKey

YIZCZAATUVLJSG-UHFFFAOYSA-N

Compound name

2-(2-phenylbenzimidazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 14
Patents: 252.08987 Da
Monoisotopic Mass: 2.8
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]+	253.09715	155.2
[M+Na]+	275.07909	165.0
[M-H]-	251.08259	159.7
[M+NH4]+	270.12369	171.6
[M+K]+	291.05303	159.9
[M+H-H2O]+	235.08713	146.9
[M+HCOO]-	297.08807	176.7
[M+CH3COO]-	311.10372	167.6
[M+Na-2H]-	273.06454	161.0
[M]+	252.08932	157.1
[M]-	252.09042	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe