CID 2307331

C527

Structural Information

Molecular Formula
C17H8FNO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H8FNO3/c18-10-7-5-9(6-8-10)17-19-13-14(20)11-3-1-2-4-12(11)15(21)16(13)22-17/h1-8H
InChIKey
ULJDFEYQOPCCPM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)benzo[f][1,3]benzoxazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

293.04883 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05611 162.7
[M+Na]+ 316.03805 174.8
[M-H]- 292.04155 170.5
[M+NH4]+ 311.08265 179.5
[M+K]+ 332.01199 170.1
[M+H-H2O]+ 276.04609 154.1
[M+HCOO]- 338.04703 182.5
[M+CH3COO]- 352.06268 175.8
[M+Na-2H]- 314.02350 167.6
[M]+ 293.04828 164.6
[M]- 293.04938 164.6
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

patents stripe