CID 5273322

4,6-dichloro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1h-benzimidazole

Structural Information

Molecular Formula
C11H3Cl2F9N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl)Cl
InChI
InChI=1S/C11H3Cl2F9N2/c12-3-1-4(13)6-5(2-3)23-7(24-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h1-2H,(H,23,24)
InChIKey
OYVJOFIROIUCEA-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.95294 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.96022 173.0
[M+Na]+ 426.94216 186.8
[M-H]- 402.94566 163.7
[M+NH4]+ 421.98676 185.0
[M+K]+ 442.91610 177.8
[M+H-H2O]+ 386.95020 160.8
[M+HCOO]- 448.95114 169.5
[M+CH3COO]- 462.96679 215.1
[M+Na-2H]- 424.92761 176.4
[M]+ 403.95239 164.9
[M]- 403.95349 164.9
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.