CID 840484

6,8-dibromo-dihydro-1,3-benzoxazine-2-thione-4-one

Structural Information

Molecular Formula
C8H3Br2NO2S
SMILES
C1=C(C=C(C2=C1C(=O)NC(=S)O2)Br)Br
InChI
InChI=1S/C8H3Br2NO2S/c9-3-1-4-6(5(10)2-3)13-8(14)11-7(4)12/h1-2H,(H,11,12,14)
InChIKey
GQOPHCWZRMHLJT-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-sulfanylidene-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.82513 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.83241 126.5
[M+Na]+ 357.81435 140.7
[M-H]- 333.81785 133.7
[M+NH4]+ 352.85895 144.2
[M+K]+ 373.78829 125.0
[M+H-H2O]+ 317.82239 135.8
[M+HCOO]- 379.82333 137.7
[M+CH3COO]- 393.83898 142.0
[M+Na-2H]- 355.79980 135.4
[M]+ 334.82458 163.1
[M]- 334.82568 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.