CID 165654705

1,1-dioxo-2h-1lambda6-thiete-3-carbonitrile

Structural Information

Molecular Formula
C4H3NO2S
SMILES
C1C(=CS1(=O)=O)C#N
InChI
InChI=1S/C4H3NO2S/c5-1-4-2-8(6,7)3-4/h2H,3H2
InChIKey
IXIQDBHAOYALOF-UHFFFAOYSA-N
Compound name
1,1-dioxo-2H-thiete-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.98845 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.99573 115.0
[M+Na]+ 151.97767 122.0
[M+NH4]+ 147.02227 117.9
[M+K]+ 167.95161 113.5
[M-H]- 127.98117 106.6
[M+Na-2H]- 149.96312 117.6
[M]+ 128.98790 112.2
[M]- 128.98900 112.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.