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]+ 271.00560 148.2
[M+Na]+ 292.98754 161.3
[M-H]- 268.99104 143.4
[M+NH4]+ 288.03214 165.4
[M+K]+ 308.96148 154.2
[M+H-H2O]+ 252.99558 138.5
[M+HCOO]- 314.99652 157.5
[M+CH3COO]- 329.01217 191.4
[M+Na-2H]- 290.97299 154.2
[M]+ 269.99777 144.1
[M]- 269.99887 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