CID 198645

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

Structural Information

Molecular Formula
C8HBr2ClF4N2
SMILES
C12=C(C(=C(C(=C1Br)F)Br)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBr2ClF4N2/c9-1-3(11)6-5(2(10)4(1)12)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
QGZJKNKPIQMLNK-UHFFFAOYSA-N
Compound name
5,7-dibromo-4-chloro-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.8131 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.82038 161.5
[M+Na]+ 416.80232 177.9
[M-H]- 392.80582 163.5
[M+NH4]+ 411.84692 179.0
[M+K]+ 432.77626 159.2
[M+H-H2O]+ 376.81036 167.9
[M+HCOO]- 438.81130 168.8
[M+CH3COO]- 452.82695 212.8
[M+Na-2H]- 414.78777 166.0
[M]+ 393.81255 193.8
[M]- 393.81365 193.8
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

No patent data available for this compound.