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 142.5
[M+Na]+ 222.98579 153.8
[M-H]- 198.98929 147.9
[M+NH4]+ 218.03039 169.9
[M+K]+ 238.95973 152.5
[M+H-H2O]+ 182.99383 142.6
[M+HCOO]- 244.99477 153.5
[M+CH3COO]- 259.01042 156.8
[M+Na-2H]- 220.97124 141.6
[M]+ 199.99602 146.5
[M]- 199.99712 146.5
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.