CID 23287932

Sodium c12 olefin sulfonate

Structural Information

Molecular Formula

C₁₂H₂₄O₃S

SMILES

CCCCCCCCC/C=C/CS(=O)(=O)O

InChI

InChI=1S/C12H24O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h10-11H,2-9,12H2,1H3,(H,13,14,15)/b11-10+

InChIKey

OLNHOZCVPDAKRJ-ZHACJKMWSA-N

Compound name

(E)-dodec-2-ene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 93
Patents: 248.14462 Da
Monoisotopic Mass: 4.2
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]+	249.15190	159.7
[M+Na]+	271.13384	165.0
[M-H]-	247.13734	157.7
[M+NH4]+	266.17844	176.9
[M+K]+	287.10778	161.0
[M+H-H2O]+	231.14188	154.3
[M+HCOO]-	293.14282	174.3
[M+CH3COO]-	307.15847	189.4
[M+Na-2H]-	269.11929	160.5
[M]+	248.14407	165.0
[M]-	248.14517	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe