CID 65344680

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

Structural Information

Molecular Formula
C9H8BrClN2
SMILES
CN1C2=C(C=CC(=C2)Br)N=C1CCl
InChI
InChI=1S/C9H8BrClN2/c1-13-8-4-6(10)2-3-7(8)12-9(13)5-11/h2-4H,5H2,1H3
InChIKey
VNLJSPDPUUXMMS-UHFFFAOYSA-N
Compound name
6-bromo-2-(chloromethyl)-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 144.0
[M+Na]+ 280.94515 160.7
[M-H]- 256.94865 149.7
[M+NH4]+ 275.98975 166.6
[M+K]+ 296.91909 147.5
[M+H-H2O]+ 240.95319 144.4
[M+HCOO]- 302.95413 161.3
[M+CH3COO]- 316.96978 160.3
[M+Na-2H]- 278.93060 152.2
[M]+ 257.95538 167.3
[M]- 257.95648 167.3
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