CID 136367031

5,6-difluoropyrimidin-4-ol

Structural Information

Molecular Formula

C₄H₂F₂N₂O

SMILES

C1=NC(=C(C(=O)N1)F)F

InChI

InChI=1S/C4H2F2N2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9)

InChIKey

ORVACLJEQQAHPY-UHFFFAOYSA-N

Compound name

4,5-difluoro-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 132.01352 Da
Monoisotopic Mass: -0.1
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]+	133.02080	117.4
[M+Na]+	155.00274	128.8
[M-H]-	131.00624	115.3
[M+NH4]+	150.04734	136.4
[M+K]+	170.97668	126.0
[M+H-H2O]+	115.01078	109.6
[M+HCOO]-	177.01172	137.8
[M+CH3COO]-	191.02737	167.9
[M+Na-2H]-	152.98819	125.3
[M]+	132.01297	113.9
[M]-	132.01407	113.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe