CID 14461144

4,6-difluoro-2-(methylthio)pyrimidine

Structural Information

Molecular Formula

C₅H₄F₂N₂S

SMILES

CSC1=NC(=CC(=N1)F)F

InChI

InChI=1S/C5H4F2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3

InChIKey

DKOCBKCIRMJSSA-UHFFFAOYSA-N

Compound name

4,6-difluoro-2-methylsulfanylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 162.00633 Da
Monoisotopic Mass: 1.9
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]+	163.01361	129.5
[M+Na]+	184.99555	141.5
[M+NH4]+	180.04015	137.1
[M+K]+	200.96949	133.6
[M-H]-	160.99905	128.4
[M+Na-2H]-	182.98100	135.1
[M]+	162.00578	131.2
[M]-	162.00688	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe