CID 10018

462-31-7

Structural Information

Molecular Formula

SMILES

CC(=O)SCCF

InChI

InChI=1S/C4H7FOS/c1-4(6)7-3-2-5/h2-3H2,1H3

InChIKey

MFWYIFRPVITMEP-UHFFFAOYSA-N

Compound name

S-(2-fluoroethyl) ethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 122.020164 Da
Monoisotopic Mass: 1.0
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]+	123.02744	123.5
[M+Na]+	145.00938	133.0
[M+NH4]+	140.05399	131.7
[M+K]+	160.98332	125.8
[M-H]-	121.01289	121.9
[M+Na-2H]-	142.99483	126.3
[M]+	122.01962	124.6
[M]-	122.02071	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe