CID 10045661

6-bromo-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H7BrF3NO3
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O
InChI
InChI=1S/C15H7BrF3NO3/c16-9-3-6-12-11(7-9)13(21)20(14(22)23-12)10-4-1-8(2-5-10)15(17,18)19/h1-7H
InChIKey
LTVALXIGOLIRRA-UHFFFAOYSA-N
Compound name
6-bromo-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.95615 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.96343 178.5
[M+Na]+ 407.94537 193.6
[M-H]- 383.94887 185.4
[M+NH4]+ 402.98997 192.9
[M+K]+ 423.91931 181.9
[M+H-H2O]+ 367.95341 174.5
[M+HCOO]- 429.95435 193.7
[M+CH3COO]- 443.97000 212.4
[M+Na-2H]- 405.93082 185.2
[M]+ 384.95560 197.1
[M]- 384.95670 197.1
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.