CID 55280308

1262409-43-7

Structural Information

Molecular Formula

C₆H₉ClO₃S

SMILES

C1CC(=O)CCC1S(=O)(=O)Cl

InChI

InChI=1S/C6H9ClO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h6H,1-4H2

InChIKey

IJOOLKIYFVIJNU-UHFFFAOYSA-N

Compound name

4-oxocyclohexane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 195.9961 Da
Monoisotopic Mass: 0.6
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]+	197.00338	135.4
[M+Na]+	218.98532	143.6
[M-H]-	194.98882	139.2
[M+NH4]+	214.02992	156.1
[M+K]+	234.95926	140.4
[M+H-H2O]+	178.99336	131.9
[M+HCOO]-	240.99430	146.5
[M+CH3COO]-	255.00995	176.1
[M+Na-2H]-	216.97077	138.8
[M]+	195.99555	136.1
[M]-	195.99665	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe