CID 476267

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

Structural Information

Molecular Formula
C11H7BrN2O3S2
SMILES
C1=CC=C(C(=C1)N2C(=O)NC3=CSC=C3S2(=O)=O)Br
InChI
InChI=1S/C11H7BrN2O3S2/c12-7-3-1-2-4-9(7)14-11(15)13-8-5-18-6-10(8)19(14,16)17/h1-6H,(H,13,15)
InChIKey
HKEFWKONCYISBO-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-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

357.90814 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.91542 148.7
[M+Na]+ 380.89736 164.3
[M-H]- 356.90086 156.0
[M+NH4]+ 375.94196 168.4
[M+K]+ 396.87130 150.8
[M+H-H2O]+ 340.90540 151.1
[M+HCOO]- 402.90634 157.8
[M+CH3COO]- 416.92199 163.2
[M+Na-2H]- 378.88281 154.3
[M]+ 357.90759 169.7
[M]- 357.90869 169.7
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.