CID 43486

11,14-dithiatetracosane

Structural Information

Molecular Formula
C22H46S2
SMILES
CCCCCCCCCCSCCSCCCCCCCCCC
InChI
InChI=1S/C22H46S2/c1-3-5-7-9-11-13-15-17-19-23-21-22-24-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
NJNNTWRBFGHMTD-UHFFFAOYSA-N
Compound name
1-(2-decylsulfanylethylsulfanyl)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.3041 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.31138 193.9
[M+Na]+ 397.29332 194.3
[M-H]- 373.29682 190.9
[M+NH4]+ 392.33792 207.1
[M+K]+ 413.26726 187.5
[M+H-H2O]+ 357.30136 185.8
[M+HCOO]- 419.30230 201.3
[M+CH3COO]- 433.31795 223.0
[M+Na-2H]- 395.27877 187.5
[M]+ 374.30355 203.6
[M]- 374.30465 203.6
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

patents stripe