CID 43829388

4-chloro-2-(heptafluoropropyl)pyrimidine

Structural Information

Molecular Formula
C7H2ClF7N2
SMILES
C1=CN=C(N=C1Cl)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H2ClF7N2/c8-3-1-2-16-4(17-3)5(9,10)6(11,12)7(13,14)15/h1-2H
InChIKey
HBSJCZBPVSTIDA-UHFFFAOYSA-N
Compound name
4-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

281.97946 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98674 147.2
[M+Na]+ 304.96868 158.7
[M-H]- 280.97218 139.9
[M+NH4]+ 300.01328 161.2
[M+K]+ 320.94262 153.3
[M+H-H2O]+ 264.97672 135.5
[M+HCOO]- 326.97766 152.9
[M+CH3COO]- 340.99331 196.3
[M+Na-2H]- 302.95413 153.4
[M]+ 281.97891 139.3
[M]- 281.98001 139.3
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.