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

6
Patents

341.8615 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.868776 153.9
[M+Na]+ 364.850718 168.1
[M-H]- 340.854224 156.5
[M+NH4]+ 359.895323 172.0
[M+K]+ 380.824658 151.4
[M+H-H2O]+ 324.858760 160.7
[M+HCOO]- 386.859701 165.8
[M+CH3COO]- 400.875351 206.1
[M+Na-2H]- 362.836166 160.3
[M]+ 341.86095142 185.4
[M]- 341.86204858 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