CID 4962189

4-(1h-1,3-benzodiazol-1-yl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C14H10N2O2/c17-14(18)10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16/h1-9H,(H,17,18)
InChIKey
LVTAQCOHWAZNAV-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

238.07423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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