CID 5273323

5,6-dichloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1h-benzimidazole

Structural Information

Molecular Formula
C10H3Cl2F7N2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3Cl2F7N2/c11-3-1-5-6(2-4(3)12)21-7(20-5)8(13,14)9(15,16)10(17,18)19/h1-2H,(H,20,21)
InChIKey
FWNNBTFCGMQEBH-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.95615 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.96343 162.9
[M+Na]+ 376.94537 176.9
[M-H]- 352.94887 155.6
[M+NH4]+ 371.98997 177.1
[M+K]+ 392.91931 168.2
[M+H-H2O]+ 336.95341 152.2
[M+HCOO]- 398.95435 163.2
[M+CH3COO]- 412.97000 206.1
[M+Na-2H]- 374.93082 166.8
[M]+ 353.95560 157.7
[M]- 353.95670 157.7
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.