CID 131410876

Methyl 4-chloro-6-(trifluoromethyl)pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C7H4ClF3N2O2
SMILES
COC(=O)C1=C(N=CN=C1Cl)C(F)(F)F
InChI
InChI=1S/C7H4ClF3N2O2/c1-15-6(14)3-4(7(9,10)11)12-2-13-5(3)8/h2H,1H3
InChIKey
HPVHGBDGDPIZNO-UHFFFAOYSA-N
Compound name
methyl 4-chloro-6-(trifluoromethyl)pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.99133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99861 145.9
[M+Na]+ 262.98055 155.7
[M+NH4]+ 258.02515 150.2
[M+K]+ 278.95449 151.7
[M-H]- 238.98405 141.0
[M+Na-2H]- 260.96600 149.6
[M]+ 239.99078 145.7
[M]- 239.99188 145.7
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

No patent data available for this compound.