CID 3835869

338421-44-6

Structural Information

Molecular Formula
C10H8ClNO3S
SMILES
C1C(=O)N(C(=O)CS1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H8ClNO3S/c11-7-3-1-2-4-8(7)12-9(13)5-16(15)6-10(12)14/h1-4H,5-6H2
InChIKey
VSTPUZJQUPYSRB-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.99133 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99861 151.2
[M+Na]+ 279.98055 165.3
[M+NH4]+ 275.02515 159.5
[M+K]+ 295.95449 156.5
[M-H]- 255.98405 154.2
[M+Na-2H]- 277.96600 157.5
[M]+ 256.99078 154.7
[M]- 256.99188 154.7
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.