CID 66280

Dodecane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₂H₂₅ClO₂S

SMILES

CCCCCCCCCCCCS(=O)(=O)Cl

InChI

InChI=1S/C12H25ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3

InChIKey

PBULHKIPTBIZHO-UHFFFAOYSA-N

Compound name

dodecane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 409
Patents: 268.12637 Da
Monoisotopic Mass: 6.0
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]+	269.13365	162.5
[M+Na]+	291.11559	168.7
[M-H]-	267.11909	162.2
[M+NH4]+	286.16019	180.6
[M+K]+	307.08953	163.9
[M+H-H2O]+	251.12363	157.9
[M+HCOO]-	313.12457	173.8
[M+CH3COO]-	327.14022	195.5
[M+Na-2H]-	289.10104	163.3
[M]+	268.12582	170.7
[M]-	268.12692	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe