CID 33727272

4,6-dichloro-2-(heptafluoropropyl)pyrimidine

Structural Information

Molecular Formula
C7HCl2F7N2
SMILES
C1=C(N=C(N=C1Cl)C(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C7HCl2F7N2/c8-2-1-3(9)18-4(17-2)5(10,11)6(12,13)7(14,15)16/h1H
InChIKey
XFNPSUTZEAJYGZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

315.9405 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.947776 150.2
[M+Na]+ 338.929718 162.7
[M-H]- 314.933224 142.7
[M+NH4]+ 333.974323 163.5
[M+K]+ 354.903658 156.1
[M+H-H2O]+ 298.937760 139.1
[M+HCOO]- 360.938701 151.0
[M+CH3COO]- 374.954351 201.7
[M+Na-2H]- 336.915166 155.2
[M]+ 315.93995142 143.9
[M]- 315.94104858 143.9
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

No patent data available for this compound.