CID 197967

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

Structural Information

Molecular Formula
C8HCl3F4N2
SMILES
C12=C(C(=C(C(=C1Cl)F)Cl)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HCl3F4N2/c9-1-2(10)5-6(3(11)4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)
InChIKey
NJSKGSOZKZRINK-UHFFFAOYSA-N
Compound name
4,5,7-trichloro-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.91415 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.92143 150.3
[M+Na]+ 328.90337 165.8
[M-H]- 304.90687 145.7
[M+NH4]+ 323.94797 167.1
[M+K]+ 344.87731 157.3
[M+H-H2O]+ 288.91141 142.6
[M+HCOO]- 350.91235 152.1
[M+CH3COO]- 364.92800 198.3
[M+Na-2H]- 326.88882 152.6
[M]+ 305.91360 149.9
[M]- 305.91470 149.9
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