CID 3696469

175137-27-6

Structural Information

Molecular Formula

C₇H₄ClF₃N₂O₂

SMILES

COC(=O)C1=CN=C(N=C1C(F)(F)F)Cl

InChI

InChI=1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3

InChIKey

VLUBJYUOPNGBOQ-UHFFFAOYSA-N

Compound name

methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 358
Patents: 239.99133 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe