CID 610979

5-bromo-2-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC1=NC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKey
FHDFUQGJYYGLHJ-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

320
Patents

209.97926 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 135.0
[M+Na]+ 232.96848 149.8
[M-H]- 208.97198 139.5
[M+NH4]+ 228.01308 157.7
[M+K]+ 248.94242 137.9
[M+H-H2O]+ 192.97652 135.3
[M+HCOO]- 254.97746 155.7
[M+CH3COO]- 268.99311 151.1
[M+Na-2H]- 230.95393 144.3
[M]+ 209.97871 154.2
[M]- 209.97981 154.2
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