CID 26823

14689-60-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

453.73306 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.74034 160.0
[M+Na]+ 476.72228 171.8
[M-H]- 452.72578 162.9
[M+NH4]+ 471.76688 173.8
[M+K]+ 492.69622 154.6
[M+H-H2O]+ 436.73032 174.2
[M+HCOO]- 498.73126 164.5
[M+CH3COO]- 512.74691 226.6
[M+Na-2H]- 474.70773 163.6
[M]+ 453.73251 200.1
[M]- 453.73361 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