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 171.6
[M+Na]+ 349.03948 174.8
[M-H]- 325.04298 168.4
[M+NH4]+ 344.08408 184.8
[M+K]+ 365.01342 166.1
[M+H-H2O]+ 309.04752 164.3
[M+HCOO]- 371.04846 168.1
[M+CH3COO]- 385.06411 205.7
[M+Na-2H]- 347.02493 167.0
[M]+ 326.04971 173.7
[M]- 326.05081 173.7
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