CID 68942

Fluindione

Structural Information

Molecular Formula
C15H9FO2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChIKey
NASXCEITKQITLD-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

162
References

863
Patents

240.05865 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.065926 149.0
[M+Na]+ 263.047868 159.8
[M-H]- 239.051374 156.4
[M+NH4]+ 258.092473 169.8
[M+K]+ 279.021808 154.8
[M+H-H2O]+ 223.055910 141.9
[M+HCOO]- 285.056851 172.0
[M+CH3COO]- 299.072501 163.0
[M+Na-2H]- 261.033316 152.6
[M]+ 240.05810142 148.6
[M]- 240.05919858 148.6
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