CID 68032

3-fluoropropyl sulfurochloridoite

Structural Information

Molecular Formula

C₃H₆ClFO₂S

SMILES

C(COS(=O)Cl)CF

InChI

InChI=1S/C3H6ClFO2S/c4-8(6)7-3-1-2-5/h1-3H2

InChIKey

VHWOGCZOYFJDEJ-UHFFFAOYSA-N

Compound name

1-chlorosulfinyloxy-3-fluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 159.9761 Da
Monoisotopic Mass: 1.6
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]+	160.98338	123.0
[M+Na]+	182.96532	132.0
[M-H]-	158.96882	122.6
[M+NH4]+	178.00992	145.2
[M+K]+	198.93926	129.9
[M+H-H2O]+	142.97336	118.8
[M+HCOO]-	204.97430	136.4
[M+CH3COO]-	218.98995	172.6
[M+Na-2H]-	180.95077	126.0
[M]+	159.97555	127.3
[M]-	159.97665	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe