CID 18787571

4,5-difluoropyrimidine

Structural Information

Molecular Formula

C₄H₂F₂N₂

SMILES

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

InChI

InChI=1S/C4H2F2N2/c5-3-1-7-2-8-4(3)6/h1-2H

InChIKey

HCAMHLAFLLGEOQ-UHFFFAOYSA-N

Compound name

4,5-difluoropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 116.01861 Da
Monoisotopic Mass: 0.7
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]+	117.02589	118.5
[M+Na]+	139.00783	131.0
[M+NH4]+	134.05243	125.9
[M+K]+	154.98177	125.0
[M-H]-	115.01133	117.1
[M+Na-2H]-	136.99328	125.6
[M]+	116.01806	119.7
[M]-	116.01916	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe