CID 3078177

Brn 3568534

Structural Information

Molecular Formula
C16H10F3NO4
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=CC=CC=C4C(F)(F)F)C(=O)O1
InChI
InChI=1S/C16H10F3NO4/c17-16(18,19)8-4-2-1-3-7(8)11-12-9(5-23-14(12)21)20-10-6-24-15(22)13(10)11/h1-4,11,20H,5-6H2
InChIKey
LTEHQWUKSGHJKF-UHFFFAOYSA-N
Compound name
8-[2-(trifluoromethyl)phenyl]-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

337.05618 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06346 178.4
[M+Na]+ 360.04540 186.9
[M+NH4]+ 355.09000 183.0
[M+K]+ 376.01934 186.1
[M-H]- 336.04890 177.7
[M+Na-2H]- 358.03085 177.7
[M]+ 337.05563 179.0
[M]- 337.05673 179.0
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