CID 59446

5,6-dichloro-2-pentafluoroethyl benzimidazole

Structural Information

Molecular Formula
C9H3Cl2F5N2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(N2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H3Cl2F5N2/c10-3-1-5-6(2-4(3)11)18-7(17-5)8(12,13)9(14,15)16/h1-2H,(H,17,18)
InChIKey
WMFHICURNVUHEZ-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

22
Patents

303.95935 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.96663 153.0
[M+Na]+ 326.94857 167.1
[M-H]- 302.95207 147.9
[M+NH4]+ 321.99317 169.4
[M+K]+ 342.92251 158.9
[M+H-H2O]+ 286.95661 143.8
[M+HCOO]- 348.95755 157.2
[M+CH3COO]- 362.97320 197.0
[M+Na-2H]- 324.93402 157.5
[M]+ 303.95880 150.5
[M]- 303.95990 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe