CID 53867034

781-94-2

Structural Information

Molecular Formula

C₉H₄F₃NO₃

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=O)OC(=O)N2

InChI

InChI=1S/C9H4F3NO3/c10-9(11,12)4-1-2-6-5(3-4)7(14)16-8(15)13-6/h1-3H,(H,13,15)

InChIKey

HAMDXJUAHDROHP-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 231.01433 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.02161	147.7
[M+Na]+	254.00355	158.7
[M+NH4]+	249.04815	152.4
[M+K]+	269.97749	154.3
[M-H]-	230.00705	144.9
[M+Na-2H]-	251.98900	151.0
[M]+	231.01378	148.2
[M]-	231.01488	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe