CID 79631957

2,5-dichloro-n-(2,2,2-trifluoroethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C6H4Cl2F3N3
SMILES
C1=C(C(=NC(=N1)Cl)NCC(F)(F)F)Cl
InChI
InChI=1S/C6H4Cl2F3N3/c7-3-1-12-5(8)14-4(3)13-2-6(9,10)11/h1H,2H2,(H,12,13,14)
InChIKey
FVZFHCUEBRPKPV-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

244.97343 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.98071 141.0
[M+Na]+ 267.96265 152.2
[M-H]- 243.96615 137.8
[M+NH4]+ 263.00725 157.1
[M+K]+ 283.93659 146.5
[M+H-H2O]+ 227.97069 132.7
[M+HCOO]- 289.97163 150.4
[M+CH3COO]- 303.98728 191.1
[M+Na-2H]- 265.94810 147.4
[M]+ 244.97288 139.7
[M]- 244.97398 139.7
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