CID 23097

Benzimidazole, 4,6-dibromo-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3Br2F3N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)Br)Br
InChI
InChI=1S/C8H3Br2F3N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKey
IPVBKOUKUCKNIK-UHFFFAOYSA-N
Compound name
4,6-dibromo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

341.8615 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.86878 153.9
[M+Na]+ 364.85072 168.1
[M-H]- 340.85422 156.5
[M+NH4]+ 359.89532 172.0
[M+K]+ 380.82466 151.4
[M+H-H2O]+ 324.85876 160.7
[M+HCOO]- 386.85970 165.8
[M+CH3COO]- 400.87535 206.1
[M+Na-2H]- 362.83617 160.3
[M]+ 341.86095 185.4
[M]- 341.86205 185.4
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