CID 11777600

2,3,5,7,9-pentathiadecane 2,2-dioxide

Structural Information

Molecular Formula
C5H12O2S5
SMILES
CSSCSCSCS(=O)(=O)C
InChI
InChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3
InChIKey
BHWJQDRVDKQMFE-UHFFFAOYSA-N
Compound name
(methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

263.9441 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95138 162.8
[M+Na]+ 286.93332 168.4
[M-H]- 262.93682 158.8
[M+NH4]+ 281.97792 176.5
[M+K]+ 302.90726 157.3
[M+H-H2O]+ 246.94136 155.6
[M+HCOO]- 308.94230 155.7
[M+CH3COO]- 322.95795 195.4
[M+Na-2H]- 284.91877 161.9
[M]+ 263.94355 159.2
[M]- 263.94465 159.2
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