CID 703493

29003-05-2

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)O)N2C=NC3=CC=CC=C32

InChI

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

InChIKey

SSXQFHWSILYDFN-UHFFFAOYSA-N

Compound name

2-(benzimidazol-1-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 238.07423 Da
Monoisotopic Mass: 2.6
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]+	239.08151	150.5
[M+Na]+	261.06345	160.8
[M-H]-	237.06695	155.2
[M+NH4]+	256.10805	167.5
[M+K]+	277.03739	155.9
[M+H-H2O]+	221.07149	142.4
[M+HCOO]-	283.07243	172.4
[M+CH3COO]-	297.08808	163.4
[M+Na-2H]-	259.04890	156.9
[M]+	238.07368	152.1
[M]-	238.07478	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe