CID 75109

2168-96-9

Structural Information

Molecular Formula
C24H50OS
SMILES
CCCCCCCCCCCCS(=O)CCCCCCCCCCCC
InChI
InChI=1S/C24H50OS/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
PZKDFFVFMXTDIP-UHFFFAOYSA-N
Compound name
1-dodecylsulfinyldodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

386.35825 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.365526 205.9
[M+Na]+ 409.347468 205.5
[M-H]- 385.350974 202.8
[M+NH4]+ 404.392073 218.3
[M+K]+ 425.321408 199.8
[M+H-H2O]+ 369.355510 197.7
[M+HCOO]- 431.356451 217.7
[M+CH3COO]- 445.372101 226.6
[M+Na-2H]- 407.332916 199.2
[M]+ 386.35770142 216.1
[M]- 386.35879858 216.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe