CID 6429059

Methyl furfuryl trisulfide

Structural Information

Molecular Formula
C6H8OS3
SMILES
CSSSCC1=CC=CO1
InChI
InChI=1S/C6H8OS3/c1-8-10-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKey
ORKOECRFEGYATC-UHFFFAOYSA-N
Compound name
2-[(methyltrisulfanyl)methyl]furan
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

191.97372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98100 135.1
[M+Na]+ 214.96294 144.9
[M-H]- 190.96644 139.2
[M+NH4]+ 210.00754 155.9
[M+K]+ 230.93688 141.3
[M+H-H2O]+ 174.97098 130.5
[M+HCOO]- 236.97192 144.1
[M+CH3COO]- 250.98757 179.5
[M+Na-2H]- 212.94839 135.7
[M]+ 191.97317 138.8
[M]- 191.97427 138.8
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