CID 122163366

3-(oxolan-3-yl)propane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₃S

SMILES

C1COCC1CCCS(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2

InChIKey

DXMARWMNQCLLNK-UHFFFAOYSA-N

Compound name

3-(oxolan-3-yl)propane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.02739 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]+	213.034666	144.1
[M+Na]+	235.016608	151.9
[M-H]-	211.020114	148.3
[M+NH4]+	230.061213	164.6
[M+K]+	250.990548	150.0
[M+H-H2O]+	195.024650	140.4
[M+HCOO]-	257.025591	156.0
[M+CH3COO]-	271.041241	178.5
[M+Na-2H]-	233.002056	147.0
[M]+	212.02684142	148.0
[M]-	212.02793858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.