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 149.3
[M+Na]+ 279.98055 159.6
[M-H]- 255.98405 155.4
[M+NH4]+ 275.02515 166.6
[M+K]+ 295.95449 154.6
[M+H-H2O]+ 239.98859 143.4
[M+HCOO]- 301.98953 160.9
[M+CH3COO]- 316.00518 189.6
[M+Na-2H]- 277.96600 150.5
[M]+ 256.99078 151.2
[M]- 256.99188 151.2
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.