CID 12226009

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

Structural Information

Molecular Formula
C15H8F3NO3
SMILES
C1=CC=C2C(=C1)C(=O)OC(=O)N2C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H8F3NO3/c16-15(17,18)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13(20)22-14(19)21/h1-8H
InChIKey
QQIZDODXXNAZOY-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.04562 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05290 164.1
[M+Na]+ 330.03484 176.6
[M-H]- 306.03834 168.4
[M+NH4]+ 325.07944 177.6
[M+K]+ 346.00878 172.3
[M+H-H2O]+ 290.04288 153.2
[M+HCOO]- 352.04382 181.7
[M+CH3COO]- 366.05947 202.8
[M+Na-2H]- 328.02029 171.4
[M]+ 307.04507 164.0
[M]- 307.04617 164.0
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

patents stripe