CID 56828872

2-(propan-2-yloxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₁ClO₃S

SMILES

CC(C)OCCS(=O)(=O)Cl

InChI

InChI=1S/C5H11ClO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3

InChIKey

MQUXPIRDIANXNY-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.01175 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]+	187.019026	133.6
[M+Na]+	209.000968	142.3
[M-H]-	185.004474	134.6
[M+NH4]+	204.045573	154.8
[M+K]+	224.974908	140.2
[M+H-H2O]+	169.009010	130.4
[M+HCOO]-	231.009951	146.3
[M+CH3COO]-	245.025601	177.3
[M+Na-2H]-	206.986416	136.9
[M]+	186.01120142	140.0
[M]-	186.01229858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.