CID 514163

6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione

Structural Information

Molecular Formula
C9H5ClN2O2S
SMILES
C1=CC(=CC=C1C2=NC(=O)NC(=O)S2)Cl
InChI
InChI=1S/C9H5ClN2O2S/c10-6-3-1-5(2-4-6)7-11-8(13)12-9(14)15-7/h1-4H,(H,12,13,14)
InChIKey
NNDRJWMWXOELRQ-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.97603 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98331 143.6
[M+Na]+ 262.96525 156.1
[M-H]- 238.96875 147.7
[M+NH4]+ 258.00985 159.6
[M+K]+ 278.93919 149.4
[M+H-H2O]+ 222.97329 137.1
[M+HCOO]- 284.97423 156.6
[M+CH3COO]- 298.98988 156.7
[M+Na-2H]- 260.95070 148.1
[M]+ 239.97548 146.8
[M]- 239.97658 146.8
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.