CID 46934024

Trifluoromethanesulfinylethene

Structural Information

Molecular Formula

SMILES

C=CS(=O)C(F)(F)F

InChI

InChI=1S/C3H3F3OS/c1-2-8(7)3(4,5)6/h2H,1H2

InChIKey

AWWMMZJZQBAVBZ-UHFFFAOYSA-N

Compound name

1-(trifluoromethylsulfinyl)ethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.98567 Da
Monoisotopic Mass: 1.1
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]+	144.99295	118.9
[M+Na]+	166.97489	128.0
[M-H]-	142.97839	116.0
[M+NH4]+	162.01949	140.7
[M+K]+	182.94883	126.4
[M+H-H2O]+	126.98293	112.4
[M+HCOO]-	188.98387	133.0
[M+CH3COO]-	202.99952	171.0
[M+Na-2H]-	164.96034	121.7
[M]+	143.98512	116.3
[M]-	143.98622	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe