CID 57830023

2-fluoro-4-(methylthio)pyridine

Structural Information

Molecular Formula

SMILES

CSC1=CC(=NC=C1)F

InChI

InChI=1S/C6H6FNS/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3

InChIKey

IVLVPORWIOXJHI-UHFFFAOYSA-N

Compound name

2-fluoro-4-methylsulfanylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 143.0205 Da
Monoisotopic Mass: 1.8
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]+	144.02778	121.8
[M+Na]+	166.00972	131.9
[M-H]-	142.01322	123.6
[M+NH4]+	161.05432	143.0
[M+K]+	181.98366	129.3
[M+H-H2O]+	126.01776	115.3
[M+HCOO]-	188.01870	139.8
[M+CH3COO]-	202.03435	172.7
[M+Na-2H]-	163.99517	127.0
[M]+	143.01995	122.7
[M]-	143.02105	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe