CID 177800401

2-(3-methoxycyclobutyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₃S

SMILES

COC1CC(C1)CCS(=O)(=O)Cl

InChI

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

InChIKey

RJCDYDHIURZKJP-UHFFFAOYSA-N

Compound name

2-(3-methoxycyclobutyl)ethanesulfonyl 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]+	213.034666	133.3
[M+Na]+	235.016608	139.9
[M-H]-	211.020114	136.9
[M+NH4]+	230.061213	147.0
[M+K]+	250.990548	140.1
[M+H-H2O]+	195.024650	124.1
[M+HCOO]-	257.025591	144.9
[M+CH3COO]-	271.041241	185.0
[M+Na-2H]-	233.002056	136.3
[M]+	212.02684142	147.0
[M]-	212.02793858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.