CID 285361

34288-10-3

Structural Information

Molecular Formula
C10H5F3N2O4
SMILES
C1=CC=C2C(=C1)N(C(=O)C(=O)O2)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H5F3N2O4/c11-10(12,13)9(18)14-15-5-3-1-2-4-6(5)19-8(17)7(15)16/h1-4H,(H,14,18)
InChIKey
UDYXKIAZVPYHIR-UHFFFAOYSA-N
Compound name
N-(2,3-dioxo-1,4-benzoxazin-4-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.02014 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02742 150.8
[M+Na]+ 297.00936 162.2
[M-H]- 273.01286 152.0
[M+NH4]+ 292.05396 165.4
[M+K]+ 312.98330 160.1
[M+H-H2O]+ 257.01740 141.4
[M+HCOO]- 319.01834 169.3
[M+CH3COO]- 333.03399 197.2
[M+Na-2H]- 294.99481 158.8
[M]+ 274.01959 150.4
[M]- 274.02069 150.4
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.