CID 367154

2-(3-fluorobenzylidene)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C16H9FO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC=C3)F)C2=O
InChI
InChI=1S/C16H9FO2/c17-11-5-3-4-10(8-11)9-14-15(18)12-6-1-2-7-13(12)16(14)19/h1-9H
InChIKey
IICIGQYMEXWLPN-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.05865 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06593 152.8
[M+Na]+ 275.04787 163.6
[M-H]- 251.05137 160.0
[M+NH4]+ 270.09247 173.1
[M+K]+ 291.02181 157.6
[M+H-H2O]+ 235.05591 145.6
[M+HCOO]- 297.05685 175.7
[M+CH3COO]- 311.07250 194.1
[M+Na-2H]- 273.03332 155.8
[M]+ 252.05810 151.9
[M]- 252.05920 151.9
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