CID 18315

Ethylene bis(butylxanthate)

Structural Information

Molecular Formula
C12H22O2S4
SMILES
CCCCOC(=S)SCCSC(=S)OCCCC
InChI
InChI=1S/C12H22O2S4/c1-3-5-7-13-11(15)17-9-10-18-12(16)14-8-6-4-2/h3-10H2,1-2H3
InChIKey
DBNSTTYXDUJLPB-UHFFFAOYSA-N
Compound name
O-butyl 2-butoxycarbothioylsulfanylethylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.05026 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05754 168.2
[M+Na]+ 349.03948 173.4
[M+NH4]+ 344.08408 175.0
[M+K]+ 365.01342 162.0
[M-H]- 325.04298 167.4
[M+Na-2H]- 347.02493 166.2
[M]+ 326.04971 170.2
[M]- 326.05081 170.2
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