CID 198647

Benzimidazole, 4-chloro-5,6,7-tribromo-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8HBr3ClF3N2
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBr3ClF3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
ZZDTWTUXVKLZAZ-UHFFFAOYSA-N
Compound name
5,6,7-tribromo-4-chloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

453.73306 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.740336 160.0
[M+Na]+ 476.722278 171.8
[M-H]- 452.725784 162.9
[M+NH4]+ 471.766883 173.8
[M+K]+ 492.696218 154.6
[M+H-H2O]+ 436.730320 174.2
[M+HCOO]- 498.731261 164.5
[M+CH3COO]- 512.746911 226.6
[M+Na-2H]- 474.707726 163.6
[M]+ 453.73251142 200.1
[M]- 453.73360858 200.1
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

patents stripe