CID 131271440

2091396-14-2

Structural Information

Molecular Formula

C₇H₁₃ClO₃S

SMILES

CCOC1CC(C1)CS(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO3S/c1-2-11-7-3-6(4-7)5-12(8,9)10/h6-7H,2-5H2,1H3

InChIKey

IVFYCKCUKUKOQH-UHFFFAOYSA-N

Compound name

(3-ethoxycyclobutyl)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]+	213.03467	137.2
[M+Na]+	235.01661	142.9
[M+NH4]+	230.06121	141.1
[M+K]+	250.99055	138.5
[M-H]-	211.02011	134.2
[M+Na-2H]-	233.00206	138.3
[M]+	212.02684	136.5
[M]-	212.02794	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.