CID 53874982

6-bromo-1,4-dimethyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CC1=CC(=CC2=C1N=CN2C)Br
InChI
InChI=1S/C9H9BrN2/c1-6-3-7(10)4-8-9(6)11-5-12(8)2/h3-5H,1-2H3
InChIKey
IAOKCFYNSUUOKL-UHFFFAOYSA-N
Compound name
6-bromo-1,4-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.9949 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 142.2
[M+Na]+ 246.98412 147.7
[M+NH4]+ 242.02872 147.8
[M+K]+ 262.95806 148.0
[M-H]- 222.98762 142.8
[M+Na-2H]- 244.96957 146.0
[M]+ 223.99435 142.1
[M]- 223.99545 142.1
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