CID 3080116

Endothall dithioanhydride

Structural Information

Molecular Formula
C8H8O2S2
SMILES
C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)SC3=S
InChI
InChI=1S/C8H8O2S2/c9-7-5-3-1-2-4(10-3)6(5)8(11)12-7/h3-6H,1-2H2/t3-,4+,5-,6+/m1/s1
InChIKey
ALUWTIWXGXZDKB-MOJAZDJTSA-N
Compound name
(1R,2S,6R,7S)-5-sulfanylidene-10-oxa-4-thiatricyclo[5.2.1.02,6]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99657 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00385 142.2
[M+Na]+ 222.98579 149.8
[M+NH4]+ 218.03039 152.6
[M+K]+ 238.95973 146.1
[M-H]- 198.98929 143.8
[M+Na-2H]- 220.97124 140.0
[M]+ 199.99602 144.4
[M]- 199.99712 144.4
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.