CID 5273320

4,6-dichloro-2-(1,1,2,2,2-pentafluoroethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C9H3Cl2F5N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(C(F)(F)F)(F)F)Cl)Cl
InChI
InChI=1S/C9H3Cl2F5N2/c10-3-1-4(11)6-5(2-3)17-7(18-6)8(12,13)9(14,15)16/h1-2H,(H,17,18)
InChIKey
SVQOAFWYOCEFKJ-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.95935 Da
Monoisotopic Mass

4.2
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

No patent data available for this compound.