CID 131627526

2091428-08-7

Structural Information

Molecular Formula

C₆H₁₁ClO₃S

SMILES

CC1CC(OC1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO3S/c1-5-2-6(10-3-5)4-11(7,8)9/h5-6H,2-4H2,1H3

InChIKey

FCIRATNYSMKSJX-UHFFFAOYSA-N

Compound name

(4-methyloxolan-2-yl)methanesulfonyl 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	138.7
[M+Na]+	221.000968	147.9
[M-H]-	197.004474	143.5
[M+NH4]+	216.045573	160.1
[M+K]+	236.974908	146.2
[M+H-H2O]+	181.009010	135.6
[M+HCOO]-	243.009951	150.9
[M+CH3COO]-	257.025601	176.7
[M+Na-2H]-	218.986416	141.6
[M]+	198.01120142	142.7
[M]-	198.01229858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.