CID 9882013

Diallyl hexasulfide

Structural Information

Molecular Formula
C6H10S6
SMILES
C=CCSSSSSSCC=C
InChI
InChI=1S/C6H10S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
RUEMHHSAZHTSOK-UHFFFAOYSA-N
Compound name
3-(prop-2-enylhexasulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

60
Patents

273.91068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.91796 167.9
[M+Na]+ 296.89990 173.3
[M-H]- 272.90340 162.4
[M+NH4]+ 291.94450 179.8
[M+K]+ 312.87384 158.1
[M+H-H2O]+ 256.90794 160.3
[M+HCOO]- 318.90888 155.4
[M+CH3COO]- 332.92453 201.8
[M+Na-2H]- 294.88535 165.7
[M]+ 273.91013 158.2
[M]- 273.91123 158.2
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