CID 10493558

188781-15-9

Structural Information

Molecular Formula

C₉H₆F₆N₂O₂

SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9H6F6N2O2/c1-2-19-6(18)4-3-16-7(9(13,14)15)17-5(4)8(10,11)12/h3H,2H2,1H3

InChIKey

SRFVAGSJHJMMME-UHFFFAOYSA-N

Compound name

ethyl 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 288.03336 Da
Monoisotopic Mass: 2.3
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]+	289.04064	170.1
[M+Na]+	311.02258	174.5
[M+NH4]+	306.06718	170.8
[M+K]+	326.99652	171.7
[M-H]-	287.02608	161.9
[M+Na-2H]-	309.00803	169.8
[M]+	288.03281	167.9
[M]-	288.03391	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe