CID 11770178

63353-34-4

Structural Information

Molecular Formula

C₉H₁₉ClO₂S

SMILES

CCCCCCCCCS(=O)(=O)Cl

InChI

InChI=1S/C9H19ClO2S/c1-2-3-4-5-6-7-8-9-13(10,11)12/h2-9H2,1H3

InChIKey

AJOTWPQTESRFCQ-UHFFFAOYSA-N

Compound name

nonane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 226.07942 Da
Monoisotopic Mass: 4.3
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]+	227.08670	149.1
[M+Na]+	249.06864	156.6
[M-H]-	225.07214	149.4
[M+NH4]+	244.11324	169.0
[M+K]+	265.04258	152.5
[M+H-H2O]+	209.07668	145.2
[M+HCOO]-	271.07762	161.3
[M+CH3COO]-	285.09327	186.5
[M+Na-2H]-	247.05409	151.4
[M]+	226.07887	156.2
[M]-	226.07997	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe