CID 476265

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

Structural Information

Molecular Formula
C11H7ClN2O3S2
SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)NC3=CSC=C3S2(=O)=O
InChI
InChI=1S/C11H7ClN2O3S2/c12-7-2-1-3-8(4-7)14-11(15)13-9-5-18-6-10(9)19(14,16)17/h1-6H,(H,13,15)
InChIKey
YRIVSOXSNKZBKX-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,1-dioxo-4H-thieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.95865 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.96593 161.2
[M+Na]+ 336.94787 174.0
[M-H]- 312.95137 165.8
[M+NH4]+ 331.99247 179.3
[M+K]+ 352.92181 166.9
[M+H-H2O]+ 296.95591 157.1
[M+HCOO]- 358.95685 166.7
[M+CH3COO]- 372.97250 173.0
[M+Na-2H]- 334.93332 163.2
[M]+ 313.95810 165.0
[M]- 313.95920 165.0
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.