CID 122155377

6-bromo-8-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C9H5BrF3NO2
SMILES
C1C(=O)NC2=CC(=CC(=C2O1)C(F)(F)F)Br
InChI
InChI=1S/C9H5BrF3NO2/c10-4-1-5(9(11,12)13)8-6(2-4)14-7(15)3-16-8/h1-2H,3H2,(H,14,15)
InChIKey
MIOKPGIGHPAXBJ-UHFFFAOYSA-N
Compound name
6-bromo-8-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9456 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.95288 162.9
[M+Na]+ 317.93482 164.1
[M+NH4]+ 312.97942 165.0
[M+K]+ 333.90876 164.5
[M-H]- 293.93832 159.4
[M+Na-2H]- 315.92027 161.9
[M]+ 294.94505 160.8
[M]- 294.94615 160.8
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.