CID 26822

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

Structural Information

Molecular Formula
C8HBr2Cl2F3N2
SMILES
C12=C(C(=C(C(=C1Cl)Br)Br)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBr2Cl2F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
JCYBSTOMRNBAFK-UHFFFAOYSA-N
Compound name
5,6-dibromo-4,7-dichloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

409.78357 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.79085 160.8
[M+Na]+ 432.77279 177.8
[M-H]- 408.77629 163.3
[M+NH4]+ 427.81739 178.3
[M+K]+ 448.74673 158.4
[M+H-H2O]+ 392.78083 168.1
[M+HCOO]- 454.78177 164.9
[M+CH3COO]- 468.79742 214.0
[M+Na-2H]- 430.75824 165.5
[M]+ 409.78302 194.4
[M]- 409.78412 194.4
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