CID 318130

2-(1h-1,3-benzodiazol-2-yl)benzoic acid

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C14H10N2O2/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChIKey
LIGZUQZUEDNPGG-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

37
Patents

238.07423 Da
Monoisotopic Mass

2.2
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