CID 165994460

7-bromo-2-(chloromethyl)-1-methyl-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula
C9H8BrClN2
SMILES
CN1C(=NC2=C1C(=CC=C2)Br)CCl
InChI
InChI=1S/C9H8BrClN2/c1-13-8(5-11)12-7-4-2-3-6(10)9(7)13/h2-4H,5H2,1H3
InChIKey
JPOAQNWIRNRGIU-UHFFFAOYSA-N
Compound name
7-bromo-2-(chloromethyl)-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.95593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96321 148.7
[M+Na]+ 280.94515 154.9
[M+NH4]+ 275.98975 154.5
[M+K]+ 296.91909 154.3
[M-H]- 256.94865 149.3
[M+Na-2H]- 278.93060 152.5
[M]+ 257.95538 149.0
[M]- 257.95648 149.0
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

No patent data available for this compound.