CID 3053600

2-phenyl-3-thiomorpholinone

Structural Information

Molecular Formula
C10H9NO2S
SMILES
C1C(=O)NC(=S)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO2S/c12-8-6-13-9(10(14)11-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12,14)
InChIKey
DMFBCISVQYKSPB-UHFFFAOYSA-N
Compound name
6-phenyl-5-sulfanylidenemorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0354 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 142.7
[M+Na]+ 230.02462 155.7
[M+NH4]+ 225.06922 151.2
[M+K]+ 245.99856 147.6
[M-H]- 206.02812 147.2
[M+Na-2H]- 228.01007 148.9
[M]+ 207.03485 146.2
[M]- 207.03595 146.2
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.