CID 115021590

1896597-85-5

Structural Information

Molecular Formula

C₆H₁₁ClO₃S

SMILES

CC1(CCOC1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO3S/c1-6(2-3-10-4-6)5-11(7,8)9/h2-5H2,1H3

InChIKey

IJIPMOPQFVAWAR-UHFFFAOYSA-N

Compound name

(3-methyloxolan-3-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.01175 Da
Monoisotopic Mass: 1.0
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]+	199.01903	137.2
[M+Na]+	221.00097	146.2
[M-H]-	197.00447	141.8
[M+NH4]+	216.04557	160.3
[M+K]+	236.97491	144.9
[M+H-H2O]+	181.00901	134.9
[M+HCOO]-	243.00995	149.5
[M+CH3COO]-	257.02560	175.1
[M+Na-2H]-	218.98642	142.3
[M]+	198.01120	141.2
[M]-	198.01230	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.