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: 5
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]+	160.983376	123.0
[M+Na]+	182.965318	132.0
[M-H]-	158.968824	122.6
[M+NH4]+	178.009923	145.2
[M+K]+	198.939258	129.9
[M+H-H2O]+	142.973360	118.8
[M+HCOO]-	204.974301	136.4
[M+CH3COO]-	218.989951	172.6
[M+Na-2H]-	180.950766	126.0
[M]+	159.97555142	127.3
[M]-	159.97664858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe