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 141.8
[M+Na]+ 230.02462 149.5
[M-H]- 206.02812 146.5
[M+NH4]+ 225.06922 157.9
[M+K]+ 245.99856 146.1
[M+H-H2O]+ 190.03266 135.2
[M+HCOO]- 252.03360 155.5
[M+CH3COO]- 266.04925 153.9
[M+Na-2H]- 228.01007 145.0
[M]+ 207.03485 139.0
[M]- 207.03595 139.0
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.