CID 476268

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

Structural Information

Molecular Formula
C11H7FN2O3S2
SMILES
C1=CC(=CC=C1N2C(=O)NC3=CSC=C3S2(=O)=O)F
InChI
InChI=1S/C11H7FN2O3S2/c12-7-1-3-8(4-2-7)14-11(15)13-9-5-18-6-10(9)19(14,16)17/h1-6H,(H,13,15)
InChIKey
HSUBZXUOFRTKBN-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-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

297.98822 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99550 157.7
[M+Na]+ 320.97744 170.1
[M-H]- 296.98094 160.8
[M+NH4]+ 316.02204 175.5
[M+K]+ 336.95138 163.6
[M+H-H2O]+ 280.98548 151.8
[M+HCOO]- 342.98642 166.7
[M+CH3COO]- 357.00207 169.4
[M+Na-2H]- 318.96289 159.6
[M]+ 297.98767 158.9
[M]- 297.98877 158.9
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.