CID 6429059

2-[(methyltrithio)methyl]furan

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
2
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 135.2
[M+Na]+ 214.96294 145.3
[M+NH4]+ 210.00754 145.3
[M+K]+ 230.93688 135.7
[M-H]- 190.96644 139.1
[M+Na-2H]- 212.94839 138.2
[M]+ 191.97317 139.2
[M]- 191.97427 139.2
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