CID 14007760

2-(heptafluoropropyl)pyrimidine

Structural Information

Molecular Formula
C7H3F7N2
SMILES
C1=CN=C(N=C1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F7N2/c8-5(9,4-15-2-1-3-16-4)6(10,11)7(12,13)14/h1-3H
InChIKey
MMBORSWNOGXQSF-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

248.01845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02573 144.3
[M+Na]+ 271.00767 154.2
[M-H]- 247.01117 136.8
[M+NH4]+ 266.05227 158.5
[M+K]+ 286.98161 150.7
[M+H-H2O]+ 231.01571 132.1
[M+HCOO]- 293.01665 154.4
[M+CH3COO]- 307.03230 191.5
[M+Na-2H]- 268.99312 151.4
[M]+ 248.01790 133.9
[M]- 248.01900 133.9
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

patents stripe