CID 49762850

Oxolane-3-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₇ClO₃S

SMILES

C1COCC1S(=O)(=O)Cl

InChI

InChI=1S/C4H7ClO3S/c5-9(6,7)4-1-2-8-3-4/h4H,1-3H2

InChIKey

MVZIUOJNVVIOEY-UHFFFAOYSA-N

Compound name

oxolane-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 242
Patents: 169.98044 Da
Monoisotopic Mass: 0.4
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]+	170.98772	130.3
[M+Na]+	192.96966	139.4
[M-H]-	168.97316	135.0
[M+NH4]+	188.01426	152.5
[M+K]+	208.94360	138.3
[M+H-H2O]+	152.97770	127.3
[M+HCOO]-	214.97864	143.2
[M+CH3COO]-	228.99429	169.5
[M+Na-2H]-	190.95511	134.7
[M]+	169.97989	133.2
[M]-	169.98099	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe