CID 3422087

2-(4-trifluoromethylphenyl)-4-oxo-4h-1,3-benzoxazine

Structural Information

Molecular Formula
C15H10F3NO2
SMILES
C1=CC=C2C(=C1)C(=O)NC(O2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3NO2/c16-15(17,18)10-7-5-9(6-8-10)14-19-13(20)11-3-1-2-4-12(11)21-14/h1-8,14H,(H,19,20)
InChIKey
PXRZMXYWGNJDSU-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.06638 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07366 163.4
[M+Na]+ 316.05560 172.4
[M-H]- 292.05910 165.1
[M+NH4]+ 311.10020 176.3
[M+K]+ 332.02954 167.4
[M+H-H2O]+ 276.06364 152.8
[M+HCOO]- 338.06458 176.3
[M+CH3COO]- 352.08023 198.3
[M+Na-2H]- 314.04105 168.9
[M]+ 293.06583 157.4
[M]- 293.06693 157.4
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.