CID 104548568

3-methoxycyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₃S

SMILES

COC1CC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO3S/c1-9-4-2-5(3-4)10(6,7)8/h4-5H,2-3H2,1H3

InChIKey

ARMXMIZENNFZFC-UHFFFAOYSA-N

Compound name

3-methoxycyclobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 183.9961 Da
Monoisotopic Mass: 0.9
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]+	185.00338	124.1
[M+Na]+	206.98532	131.6
[M-H]-	182.98882	128.0
[M+NH4]+	202.02992	138.9
[M+K]+	222.95926	132.3
[M+H-H2O]+	166.99336	115.3
[M+HCOO]-	228.99430	136.3
[M+CH3COO]-	243.00995	179.1
[M+Na-2H]-	204.97077	128.1
[M]+	183.99555	137.1
[M]-	183.99665	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe