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 140.3
[M+Na]+ 262.98055 151.8
[M-H]- 238.98405 138.1
[M+NH4]+ 258.02515 156.5
[M+K]+ 278.95449 148.2
[M+H-H2O]+ 222.98859 131.7
[M+HCOO]- 284.98953 153.2
[M+CH3COO]- 299.00518 188.0
[M+Na-2H]- 260.96600 145.7
[M]+ 239.99078 140.6
[M]- 239.99188 140.6
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.