CID 38744

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

Structural Information

Molecular Formula
C8HBr2Cl2F3N2
SMILES
C12=C(C(=C(C(=C1Br)Cl)Cl)Br)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBr2Cl2F3N2/c9-1-3(11)4(12)2(10)6-5(1)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
ANVVSVJVHZJQCX-UHFFFAOYSA-N
Compound name
4,7-dibromo-5,6-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

literature stripe

Patent stripe

patents stripe