CID 29043

11,15-dithiapentacosane

Structural Information

Molecular Formula
C23H48S2
SMILES
CCCCCCCCCCSCCCSCCCCCCCCCC
InChI
InChI=1S/C23H48S2/c1-3-5-7-9-11-13-15-17-20-24-22-19-23-25-21-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKey
SCXCPNGTQSWZFG-UHFFFAOYSA-N
Compound name
1-(3-decylsulfanylpropylsulfanyl)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.31973 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.32701 197.8
[M+Na]+ 411.30895 197.9
[M-H]- 387.31245 194.6
[M+NH4]+ 406.35355 210.4
[M+K]+ 427.28289 190.7
[M+H-H2O]+ 371.31699 189.6
[M+HCOO]- 433.31793 204.9
[M+CH3COO]- 447.33358 225.8
[M+Na-2H]- 409.29440 191.0
[M]+ 388.31918 207.9
[M]- 388.32028 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.