CID 132342013

1-bromo-1-trifluoromethanesulfinylethene

Structural Information

Molecular Formula

C₃H₂BrF₃OS

SMILES

C=C(S(=O)C(F)(F)F)Br

InChI

InChI=1S/C3H2BrF3OS/c1-2(4)9(8)3(5,6)7/h1H2

InChIKey

BCQVSSNYAIOBHN-UHFFFAOYSA-N

Compound name

1-bromo-1-(trifluoromethylsulfinyl)ethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.89618 Da
Monoisotopic Mass: 2.0
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]+	222.90346	127.1
[M+Na]+	244.88540	139.7
[M-H]-	220.88890	127.3
[M+NH4]+	239.93000	149.4
[M+K]+	260.85934	128.5
[M+H-H2O]+	204.89344	126.1
[M+HCOO]-	266.89438	138.5
[M+CH3COO]-	280.91003	182.4
[M+Na-2H]-	242.87085	130.5
[M]+	221.89563	142.4
[M]-	221.89673	142.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.