CID 66920447

215239-69-3

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CC1=CC(=CC2=C1N=C(N2)C)Br
InChI
InChI=1S/C9H9BrN2/c1-5-3-7(10)4-8-9(5)12-6(2)11-8/h3-4H,1-2H3,(H,11,12)
InChIKey
GXRBMCDGVSZJHK-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

223.9949 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 139.5
[M+Na]+ 246.98412 154.8
[M-H]- 222.98762 144.2
[M+NH4]+ 242.02872 162.0
[M+K]+ 262.95806 142.6
[M+H-H2O]+ 206.99216 139.8
[M+HCOO]- 268.99310 159.9
[M+CH3COO]- 283.00875 155.5
[M+Na-2H]- 244.96957 147.6
[M]+ 223.99435 159.4
[M]- 223.99545 159.4
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