CID 94091

1-tridecanesulfonyl chloride

Structural Information

Molecular Formula

C₁₃H₂₇ClO₂S

SMILES

CCCCCCCCCCCCCS(=O)(=O)Cl

InChI

InChI=1S/C13H27ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h2-13H2,1H3

InChIKey

WDVSPAVGNNSMEC-UHFFFAOYSA-N

Compound name

tridecane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 282.14203 Da
Monoisotopic Mass: 6.5
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]+	283.14931	166.9
[M+Na]+	305.13125	172.7
[M-H]-	281.13475	166.4
[M+NH4]+	300.17585	184.5
[M+K]+	321.10519	167.6
[M+H-H2O]+	265.13929	162.2
[M+HCOO]-	327.14023	177.9
[M+CH3COO]-	341.15588	198.4
[M+Na-2H]-	303.11670	167.2
[M]+	282.14148	175.5
[M]-	282.14258	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe