CID 138040206

2247106-83-6

Structural Information

Molecular Formula

C₈H₁₃ClO₃S

SMILES

C1CC2CC(C1)(CO2)CS(=O)(=O)Cl

InChI

InChI=1S/C8H13ClO3S/c9-13(10,11)6-8-3-1-2-7(4-8)12-5-8/h7H,1-6H2

InChIKey

MRGPTHLPJFYIJM-UHFFFAOYSA-N

Compound name

6-oxabicyclo[3.2.1]octan-1-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.02739 Da
Monoisotopic Mass: 1.4
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]+	225.034666	144.9
[M+Na]+	247.016608	153.1
[M-H]-	223.020114	148.3
[M+NH4]+	242.061213	168.6
[M+K]+	262.990548	151.2
[M+H-H2O]+	207.024650	142.9
[M+HCOO]-	269.025591	153.5
[M+CH3COO]-	283.041241	180.4
[M+Na-2H]-	245.002056	151.5
[M]+	224.02684142	148.1
[M]-	224.02793858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.