CID 42753

58457-67-3

Structural Information

Molecular Formula
C9H4ClF5N2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H4ClF5N2/c10-4-1-2-5-6(3-4)17-7(16-5)8(11,12)9(13,14)15/h1-3H,(H,16,17)
InChIKey
HHNGOBUJWGLZRV-UHFFFAOYSA-N
Compound name
6-chloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.99832 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.005596 148.2
[M+Na]+ 292.987538 161.3
[M-H]- 268.991044 143.4
[M+NH4]+ 288.032143 165.4
[M+K]+ 308.961478 154.2
[M+H-H2O]+ 252.995580 138.5
[M+HCOO]- 314.996521 157.5
[M+CH3COO]- 329.012171 191.4
[M+Na-2H]- 290.972986 154.2
[M]+ 269.99777142 144.1
[M]- 269.99886858 144.1
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