CID 19868782

Methyl 2-fluoropyrimidine-4-carboxylate

Structural Information

Molecular Formula

C₆H₅FN₂O₂

SMILES

COC(=O)C1=NC(=NC=C1)F

InChI

InChI=1S/C6H5FN2O2/c1-11-5(10)4-2-3-8-6(7)9-4/h2-3H,1H3

InChIKey

YSYMXRAUYDSKAU-UHFFFAOYSA-N

Compound name

methyl 2-fluoropyrimidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 156.03351 Da
Monoisotopic Mass: 0.8
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]+	157.04079	129.0
[M+Na]+	179.02273	141.1
[M+NH4]+	174.06733	135.6
[M+K]+	194.99667	136.3
[M-H]-	155.02623	127.7
[M+Na-2H]-	177.00818	135.1
[M]+	156.03296	130.1
[M]-	156.03406	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe