CID 56971662

6-bromo-4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C11H12BrFN2
SMILES
CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br
InChI
InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
InChIKey
SJQZRZLUEGCXFN-UHFFFAOYSA-N
Compound name
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

270.01678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02406 151.9
[M+Na]+ 293.00600 167.2
[M-H]- 269.00950 156.6
[M+NH4]+ 288.05060 173.3
[M+K]+ 308.97994 155.4
[M+H-H2O]+ 253.01404 150.8
[M+HCOO]- 315.01498 171.0
[M+CH3COO]- 329.03063 197.5
[M+Na-2H]- 290.99145 156.8
[M]+ 270.01623 172.8
[M]- 270.01733 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe