CID 107006006

Hept-6-ene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₂S

SMILES

C=CCCCCCS(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2H,1,3-7H2

InChIKey

YFSMBNAFXBLIMK-UHFFFAOYSA-N

Compound name

hept-6-ene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.03249 Da
Monoisotopic Mass: 2.7
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]+	197.03977	139.1
[M+Na]+	219.02171	147.6
[M-H]-	195.02521	139.7
[M+NH4]+	214.06631	160.0
[M+K]+	234.99565	143.5
[M+H-H2O]+	179.02975	135.6
[M+HCOO]-	241.03069	152.1
[M+CH3COO]-	255.04634	179.6
[M+Na-2H]-	217.00716	142.3
[M]+	196.03194	144.7
[M]-	196.03304	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.