CID 14896707

3-chloropropane-1-sulfinyl chloride

Structural Information

Molecular Formula

C₃H₆Cl₂OS

SMILES

C(CS(=O)Cl)CCl

InChI

InChI=1S/C3H6Cl2OS/c4-2-1-3-7(5)6/h1-3H2

InChIKey

DYUXKYMOAGRODF-UHFFFAOYSA-N

Compound name

3-chloropropane-1-sulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.95164 Da
Monoisotopic Mass: 1.3
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]+	160.95892	123.6
[M+Na]+	182.94086	132.9
[M-H]-	158.94436	124.2
[M+NH4]+	177.98546	146.2
[M+K]+	198.91480	129.3
[M+H-H2O]+	142.94890	121.6
[M+HCOO]-	204.94984	132.8
[M+CH3COO]-	218.96549	173.0
[M+Na-2H]-	180.92631	126.5
[M]+	159.95109	128.2
[M]-	159.95219	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe