CID 165871817

2,6-difluoro-n-(2,2,2-trifluoroethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C6H4F5N3
SMILES
C1=C(N=C(N=C1F)F)NCC(F)(F)F
InChI
InChI=1S/C6H4F5N3/c7-3-1-4(14-5(8)13-3)12-2-6(9,10)11/h1H,2H2,(H,12,13,14)
InChIKey
WCCDLHQBXCIKED-UHFFFAOYSA-N
Compound name
2,6-difluoro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.03253 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03981 137.1
[M+Na]+ 236.02175 147.5
[M-H]- 212.02525 132.2
[M+NH4]+ 231.06635 153.1
[M+K]+ 251.99569 144.1
[M+H-H2O]+ 196.02979 125.9
[M+HCOO]- 258.03073 154.0
[M+CH3COO]- 272.04638 188.5
[M+Na-2H]- 234.00720 143.4
[M]+ 213.03198 130.3
[M]- 213.03308 130.3
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.