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

33
Patents

223.9949 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.002176 139.5
[M+Na]+ 246.984118 154.8
[M-H]- 222.987624 144.2
[M+NH4]+ 242.028723 162.0
[M+K]+ 262.958058 142.6
[M+H-H2O]+ 206.992160 139.8
[M+HCOO]- 268.993101 159.9
[M+CH3COO]- 283.008751 155.5
[M+Na-2H]- 244.969566 147.6
[M]+ 223.99435142 159.4
[M]- 223.99544858 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