CID 11579530

7-(trifluoromethyl)-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C9H4F3NO3
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=O)OC2=O
InChI
InChI=1S/C9H4F3NO3/c10-9(11,12)4-1-2-5-6(3-4)13-8(15)16-7(5)14/h1-3H,(H,13,15)
InChIKey
AJVKTPKCOKFIAS-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

231.01433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02161 140.4
[M+Na]+ 254.00355 152.8
[M-H]- 230.00705 140.3
[M+NH4]+ 249.04815 156.6
[M+K]+ 269.97749 149.5
[M+H-H2O]+ 214.01159 131.9
[M+HCOO]- 276.01253 157.3
[M+CH3COO]- 290.02818 185.0
[M+Na-2H]- 251.98900 149.0
[M]+ 231.01378 138.5
[M]- 231.01488 138.5
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