CID 97511

13275-42-8

Structural Information

Molecular Formula
C13H9BrN2
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Br
InChI
InChI=1S/C13H9BrN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)
InChIKey
KOXRUUGKLDCECO-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
Patents

271.9949 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.00218 152.2
[M+Na]+ 294.98412 165.9
[M-H]- 270.98762 159.4
[M+NH4]+ 290.02872 172.0
[M+K]+ 310.95806 152.9
[M+H-H2O]+ 254.99216 151.5
[M+HCOO]- 316.99310 172.7
[M+CH3COO]- 331.00875 167.1
[M+Na-2H]- 292.96957 161.0
[M]+ 271.99435 170.7
[M]- 271.99545 170.7
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