CID 64200592

1339155-90-6

Structural Information

Molecular Formula

C₆H₁₃ClO₄S

SMILES

COCCCOCCS(=O)(=O)Cl

InChI

InChI=1S/C6H13ClO4S/c1-10-3-2-4-11-5-6-12(7,8)9/h2-6H2,1H3

InChIKey

DTQSYSNENUCMES-UHFFFAOYSA-N

Compound name

2-(3-methoxypropoxy)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.02231 Da
Monoisotopic Mass: 0.4
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]+	217.02959	141.3
[M+Na]+	239.01153	149.7
[M-H]-	215.01503	142.0
[M+NH4]+	234.05613	161.4
[M+K]+	254.98547	147.4
[M+H-H2O]+	199.01957	137.6
[M+HCOO]-	261.02051	155.0
[M+CH3COO]-	275.03616	181.5
[M+Na-2H]-	236.99698	145.5
[M]+	216.02176	150.2
[M]-	216.02286	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.