CID 476277

2-(3-chlorophenyl)-4-methyl-1,1-dioxo-thieno[3,4-e][1,2,4]thiadiazin-3-one

Structural Information

Molecular Formula
C12H9ClN2O3S2
SMILES
CN1C2=CSC=C2S(=O)(=O)N(C1=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C12H9ClN2O3S2/c1-14-10-6-19-7-11(10)20(17,18)15(12(14)16)9-4-2-3-8(13)5-9/h2-7H,1H3
InChIKey
SHGACNLMMFZJES-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-4-methyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.9743 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.98158 165.3
[M+Na]+ 350.96352 178.7
[M-H]- 326.96702 171.4
[M+NH4]+ 346.00812 183.7
[M+K]+ 366.93746 172.3
[M+H-H2O]+ 310.97156 160.8
[M+HCOO]- 372.97250 171.8
[M+CH3COO]- 386.98815 177.6
[M+Na-2H]- 348.94897 166.4
[M]+ 327.97375 171.5
[M]- 327.97485 171.5
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.