CID 52427

P-xylylenebis(o-methylxanthate)

Structural Information

Molecular Formula
C12H14O2S4
SMILES
COC(=S)SCC1=CC=C(C=C1)CSC(=S)OC
InChI
InChI=1S/C12H14O2S4/c1-13-11(15)17-7-9-3-5-10(6-4-9)8-18-12(16)14-2/h3-6H,7-8H2,1-2H3
InChIKey
CAIJEQKSVNIRBG-UHFFFAOYSA-N
Compound name
O-methyl [4-(methoxycarbothioylsulfanylmethyl)phenyl]methylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.98767 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99495 161.9
[M+Na]+ 340.97689 170.3
[M+NH4]+ 336.02149 169.9
[M+K]+ 356.95083 158.4
[M-H]- 316.98039 163.7
[M+Na-2H]- 338.96234 163.9
[M]+ 317.98712 165.3
[M]- 317.98822 165.3
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