CID 65081251

Oxepane-4-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₃S

SMILES

C1CC(CCOC1)S(=O)(=O)Cl

InChI

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

InChIKey

LRPMTTMFXZOIGB-UHFFFAOYSA-N

Compound name

oxepane-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	133.3
[M+Na]+	221.000968	138.4
[M-H]-	197.004474	138.0
[M+NH4]+	216.045573	150.9
[M+K]+	236.974908	141.6
[M+H-H2O]+	181.009010	129.1
[M+HCOO]-	243.009951	143.1
[M+CH3COO]-	257.025601	178.0
[M+Na-2H]-	218.986416	137.7
[M]+	198.01120142	131.1
[M]-	198.01229858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.