CID 22636930

Cyclobutanesulfonyl chloride

Structural Information

Molecular Formula

C₄H₇ClO₂S

SMILES

C1CC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C4H7ClO2S/c5-8(6,7)4-2-1-3-4/h4H,1-3H2

InChIKey

REWZIICPWFGXJJ-UHFFFAOYSA-N

Compound name

cyclobutanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 488
Patents: 153.98553 Da
Monoisotopic Mass: 1.3
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]+	154.99281	117.4
[M+Na]+	176.97475	124.8
[M-H]-	152.97825	121.2
[M+NH4]+	172.01935	133.2
[M+K]+	192.94869	125.2
[M+H-H2O]+	136.98279	108.7
[M+HCOO]-	198.98373	129.8
[M+CH3COO]-	212.99938	173.2
[M+Na-2H]-	174.96020	122.4
[M]+	153.98498	128.2
[M]-	153.98608	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe