CID 3043661

55916-14-8

Structural Information

Molecular Formula
C16H11FO3
SMILES
COC1=CC=CC(=C1)C2C(=O)C3=C(C2=O)C(=CC=C3)F
InChI
InChI=1S/C16H11FO3/c1-20-10-5-2-4-9(8-10)13-15(18)11-6-3-7-12(17)14(11)16(13)19/h2-8,13H,1H3
InChIKey
PERAJVUZNBFSAE-UHFFFAOYSA-N
Compound name
4-fluoro-2-(3-methoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07648 160.5
[M+Na]+ 293.05842 174.5
[M+NH4]+ 288.10302 168.7
[M+K]+ 309.03236 168.7
[M-H]- 269.06192 163.3
[M+Na-2H]- 291.04387 166.7
[M]+ 270.06865 163.3
[M]- 270.06975 163.3
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.