CID 23299

6866-58-6

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]+ 321.002396 158.6
[M+Na]+ 342.984338 171.7
[M-H]- 318.987844 151.6
[M+NH4]+ 338.028943 173.6
[M+K]+ 358.958278 164.1
[M+H-H2O]+ 302.992380 147.5
[M+HCOO]- 364.993321 163.8
[M+CH3COO]- 379.008971 200.7
[M+Na-2H]- 340.969786 163.9
[M]+ 319.99457142 151.8
[M]- 319.99566858 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.