CID 21224521

(oxan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₃S

SMILES

C1CCOC(C1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2

InChIKey

SMEXTXISKUYKPO-UHFFFAOYSA-N

Compound name

oxan-2-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 198.01175 Da
Monoisotopic Mass: 1.2
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]+	199.019026	136.4
[M+Na]+	221.000968	143.6
[M-H]-	197.004474	140.5
[M+NH4]+	216.045573	155.6
[M+K]+	236.974908	142.0
[M+H-H2O]+	181.009010	132.5
[M+HCOO]-	243.009951	146.7
[M+CH3COO]-	257.025601	175.8
[M+Na-2H]-	218.986416	141.4
[M]+	198.01120142	138.0
[M]-	198.01229858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe