CID 105466432

1781312-46-6

Structural Information

Molecular Formula

C₇H₁₃ClO₃S

SMILES

CC1(CCCOC1)CS(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO3S/c1-7(6-12(8,9)10)3-2-4-11-5-7/h2-6H2,1H3

InChIKey

QTUJFJIEEUWUQN-UHFFFAOYSA-N

Compound name

(3-methyloxan-3-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.02739 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]+	213.034666	139.2
[M+Na]+	235.016608	146.7
[M-H]-	211.020114	143.4
[M+NH4]+	230.061213	159.9
[M+K]+	250.990548	145.3
[M+H-H2O]+	195.024650	136.2
[M+HCOO]-	257.025591	149.2
[M+CH3COO]-	271.041241	178.4
[M+Na-2H]-	233.002056	145.3
[M]+	212.02684142	141.5
[M]-	212.02793858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.