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 167.5
[M+Na]+ 340.97689 173.4
[M-H]- 316.98039 168.1
[M+NH4]+ 336.02149 181.3
[M+K]+ 356.95083 164.2
[M+H-H2O]+ 300.98493 160.7
[M+HCOO]- 362.98587 166.1
[M+CH3COO]- 377.00152 202.5
[M+Na-2H]- 338.96234 165.2
[M]+ 317.98712 168.1
[M]- 317.98822 168.1
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