CID 176108

Endothall thioanhydride

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1C[C@H]2[C@@H]3[C@H]([C@@H]1O2)C(=O)SC3=O
InChI
InChI=1S/C8H8O3S/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4+,5+,6-
InChIKey
CKSGDNACNWITHQ-GUCUJZIJSA-N
Compound name
(1S,2S,6R,7R)-10-oxa-4-thiatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.01941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 137.7
[M+Na]+ 207.00863 145.6
[M+NH4]+ 202.05323 147.5
[M+K]+ 222.98257 144.5
[M-H]- 183.01213 138.8
[M+Na-2H]- 204.99408 136.0
[M]+ 184.01886 139.3
[M]- 184.01996 139.3
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

No patent data available for this compound.