CID 20215

4228-97-1

Structural Information

Molecular Formula
C8H3Br2F3N2
SMILES
C1=CC(=C2C(=C1Br)NC(=N2)C(F)(F)F)Br
InChI
InChI=1S/C8H3Br2F3N2/c9-3-1-2-4(10)6-5(3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKey
DYLHVMDRWJVLSN-UHFFFAOYSA-N
Compound name
4,7-dibromo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

341.8615 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe