CID 23299

Benzimidazole, 5(or 6)-chloro-2-(heptafluoropropyl)-

Structural Information

Molecular Formula
C10H4ClF7N2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4ClF7N2/c11-4-1-2-5-6(3-4)20-7(19-5)8(12,13)9(14,15)10(16,17)18/h1-3H,(H,19,20)
InChIKey
RVOKGYWHSLJNQR-UHFFFAOYSA-N
Compound name
6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

319.99512 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00240 158.6
[M+Na]+ 342.98434 171.7
[M-H]- 318.98784 151.6
[M+NH4]+ 338.02894 173.6
[M+K]+ 358.95828 164.1
[M+H-H2O]+ 302.99238 147.5
[M+HCOO]- 364.99332 163.8
[M+CH3COO]- 379.00897 200.7
[M+Na-2H]- 340.96979 163.9
[M]+ 319.99457 151.8
[M]- 319.99567 151.8
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.