CID 130786952

Ethyl 2-fluoropyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₇H₇FN₂O₂

SMILES

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

InChI

InChI=1S/C7H7FN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3

InChIKey

XLPNZXCMPWYMSZ-UHFFFAOYSA-N

Compound name

ethyl 2-fluoropyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 170.04915 Da
Monoisotopic Mass: 1.0
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]+	171.05643	133.5
[M+Na]+	193.03837	145.4
[M+NH4]+	188.08297	139.9
[M+K]+	209.01231	140.3
[M-H]-	169.04187	132.2
[M+Na-2H]-	191.02382	139.3
[M]+	170.04860	134.5
[M]-	170.04970	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe