CID 749289

402944-81-4

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)C(=O)O
InChI
InChI=1S/C14H10N2O2/c17-14(18)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChIKey
BQKXFNQLZLSSEP-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

60
Patents

238.07423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 150.7
[M+Na]+ 261.06345 160.6
[M-H]- 237.06695 154.1
[M+NH4]+ 256.10805 167.0
[M+K]+ 277.03739 154.8
[M+H-H2O]+ 221.07149 143.0
[M+HCOO]- 283.07243 171.1
[M+CH3COO]- 297.08808 163.0
[M+Na-2H]- 259.04890 156.7
[M]+ 238.07368 150.5
[M]- 238.07478 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe