CID 55955

89427-17-8

Structural Information

Molecular Formula
C8H2BrCl2F3N2
SMILES
C1=C2C(=C(C(=C1Cl)Br)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H2BrCl2F3N2/c9-4-2(10)1-3-6(5(4)11)16-7(15-3)8(12,13)14/h1H,(H,15,16)
InChIKey
TZMJKLIIGWZDMN-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dichloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.87305 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.88033 155.7
[M+Na]+ 354.86227 173.9
[M-H]- 330.86577 156.4
[M+NH4]+ 349.90687 175.3
[M+K]+ 370.83621 158.0
[M+H-H2O]+ 314.87031 154.7
[M+HCOO]- 376.87125 162.4
[M+CH3COO]- 390.88690 198.4
[M+Na-2H]- 352.84772 161.3
[M]+ 331.87250 174.2
[M]- 331.87360 174.2
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.