CID 55964

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

Structural Information

Molecular Formula
C8HBrCl2F4N2
SMILES
C12=C(C(=C(C(=C1Br)Cl)F)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBrCl2F4N2/c9-1-2(10)4(12)3(11)6-5(1)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
AQOQCACLQPLZSJ-UHFFFAOYSA-N
Compound name
7-bromo-4,6-dichloro-5-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.86362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.87090 158.5
[M+Na]+ 372.85284 177.5
[M-H]- 348.85634 158.3
[M+NH4]+ 367.89744 177.6
[M+K]+ 388.82678 161.1
[M+H-H2O]+ 332.86088 156.8
[M+HCOO]- 394.86182 164.3
[M+CH3COO]- 408.87747 202.1
[M+Na-2H]- 370.83829 162.9
[M]+ 349.86307 176.2
[M]- 349.86417 176.2
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.