CID 198641

89427-27-0

Structural Information

Molecular Formula
C8HCl2F5N2
SMILES
C12=C(C(=C(C(=C1Cl)F)Cl)F)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HCl2F5N2/c9-1-3(11)2(10)5-6(4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)
InChIKey
JQGLVTOSBVIPTM-UHFFFAOYSA-N
Compound name
5,7-dichloro-4,6-difluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9437 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.95098 146.9
[M+Na]+ 312.93292 162.8
[M-H]- 288.93642 142.1
[M+NH4]+ 307.97752 164.3
[M+K]+ 328.90686 154.4
[M+H-H2O]+ 272.94096 138.0
[M+HCOO]- 334.94190 153.0
[M+CH3COO]- 348.95755 196.0
[M+Na-2H]- 310.91837 149.8
[M]+ 289.94315 145.3
[M]- 289.94425 145.3
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.