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 156.5
[M+Na]+ 293.05842 167.6
[M-H]- 269.06192 164.1
[M+NH4]+ 288.10302 176.3
[M+K]+ 309.03236 163.0
[M+H-H2O]+ 253.06646 149.3
[M+HCOO]- 315.06740 179.3
[M+CH3COO]- 329.08305 198.9
[M+Na-2H]- 291.04387 159.0
[M]+ 270.06865 158.3
[M]- 270.06975 158.3
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.