CID 57346348

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

Structural Information

Molecular Formula
C11H13BrN2
SMILES
CC1=NC2=C(N1C(C)C)C=C(C=C2)Br
InChI
InChI=1S/C11H13BrN2/c1-7(2)14-8(3)13-10-5-4-9(12)6-11(10)14/h4-7H,1-3H3
InChIKey
MKUUBENODRVHTB-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-1-propan-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

252.02621 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.033486 148.4
[M+Na]+ 275.015428 163.0
[M-H]- 251.018934 154.2
[M+NH4]+ 270.060033 170.4
[M+K]+ 290.989368 151.6
[M+H-H2O]+ 235.023470 148.2
[M+HCOO]- 297.024411 168.6
[M+CH3COO]- 311.040061 193.9
[M+Na-2H]- 273.000876 154.8
[M]+ 252.02566142 170.1
[M]- 252.02675858 170.1
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

No patent data available for this compound.