CID 474282

S1,s4-bis(thiiran-2-ylmethyl) benzene-1,4-dicarbothioate

Structural Information

Molecular Formula
C14H14O2S4
SMILES
C1C(S1)CSC(=O)C2=CC=C(C=C2)C(=O)SCC3CS3
InChI
InChI=1S/C14H14O2S4/c15-13(19-7-11-5-17-11)9-1-2-10(4-3-9)14(16)20-8-12-6-18-12/h1-4,11-12H,5-8H2
InChIKey
FTMBXEGOWWHVQD-UHFFFAOYSA-N
Compound name
1-S,4-S-bis(thiiran-2-ylmethyl) benzene-1,4-dicarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.98767 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.99495 154.9
[M+Na]+ 364.97689 159.0
[M-H]- 340.98039 160.0
[M+NH4]+ 360.02149 157.8
[M+K]+ 380.95083 152.9
[M+H-H2O]+ 324.98493 147.9
[M+HCOO]- 386.98587 155.3
[M+CH3COO]- 401.00152 160.8
[M+Na-2H]- 362.96234 153.6
[M]+ 341.98712 157.2
[M]- 341.98822 157.2
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

No patent data available for this compound.