CID 53854515

Di-2-propenyl heptasulfide

Structural Information

Molecular Formula
C6H10S7
SMILES
C=CCSSSSSSSCC=C
InChI
InChI=1S/C6H10S7/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
GSEBMLLGHBSQFW-UHFFFAOYSA-N
Compound name
3-(prop-2-enylheptasulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

44
Patents

305.88275 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.89003 188.4
[M+Na]+ 328.87197 192.8
[M-H]- 304.87547 180.7
[M+NH4]+ 323.91657 197.1
[M+K]+ 344.84591 174.5
[M+H-H2O]+ 288.88001 179.7
[M+HCOO]- 350.88095 170.5
[M+CH3COO]- 364.89660 208.9
[M+Na-2H]- 326.85742 186.3
[M]+ 305.88220 173.1
[M]- 305.88330 173.1
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