CID 10015936

Akos015917020

Structural Information

Molecular Formula

C₅H₄FIN₂S

SMILES

CSC1=NC=C(C(=N1)F)I

InChI

InChI=1S/C5H4FIN2S/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3

InChIKey

OMNZYFSZFYSGHT-UHFFFAOYSA-N

Compound name

4-fluoro-5-iodo-2-methylsulfanylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.9124 Da
Monoisotopic Mass: 2.1
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]+	270.91968	130.6
[M+Na]+	292.90162	134.6
[M-H]-	268.90512	124.4
[M+NH4]+	287.94622	145.0
[M+K]+	308.87556	137.6
[M+H-H2O]+	252.90966	120.0
[M+HCOO]-	314.91060	142.8
[M+CH3COO]-	328.92625	185.1
[M+Na-2H]-	290.88707	123.6
[M]+	269.91185	129.5
[M]-	269.91295	129.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.