CID 43349242

1053659-26-9

Structural Information

Molecular Formula
C14H9BrN2O2
SMILES
C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O)Br
InChI
InChI=1S/C14H9BrN2O2/c15-10-4-2-1-3-9(10)13-16-11-6-5-8(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKey
VDQXOCQBIBFAIF-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

315.98474 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.99202 162.3
[M+Na]+ 338.97396 175.3
[M-H]- 314.97746 168.4
[M+NH4]+ 334.01856 179.5
[M+K]+ 354.94790 162.2
[M+H-H2O]+ 298.98200 161.4
[M+HCOO]- 360.98294 180.3
[M+CH3COO]- 374.99859 175.8
[M+Na-2H]- 336.95941 168.2
[M]+ 315.98419 181.0
[M]- 315.98529 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe