CID 43211858

Azocane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₄ClNO₂S

SMILES

C1CCCN(CCC1)S(=O)(=O)Cl

InChI

InChI=1S/C7H14ClNO2S/c8-12(10,11)9-6-4-2-1-3-5-7-9/h1-7H2

InChIKey

CVOVHFTVTIMEHF-UHFFFAOYSA-N

Compound name

azocane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.04338 Da
Monoisotopic Mass: 2.0
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]+	212.050656	146.6
[M+Na]+	234.032598	151.5
[M-H]-	210.036104	147.8
[M+NH4]+	229.077203	155.1
[M+K]+	250.006538	151.2
[M+H-H2O]+	194.040640	143.5
[M+HCOO]-	256.041581	150.8
[M+CH3COO]-	270.057231	220.5
[M+Na-2H]-	232.018046	146.5
[M]+	211.04283142	146.3
[M]-	211.04392858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.