CID 65587

Fluindarol

Structural Information

Molecular Formula
C16H9F3O2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H9F3O2/c17-16(18,19)10-7-5-9(6-8-10)13-14(20)11-3-1-2-4-12(11)15(13)21/h1-8,13H
InChIKey
DGRHWUCYLVPQJY-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

290.05545 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06273 160.8
[M+Na]+ 313.04467 171.8
[M-H]- 289.04817 165.5
[M+NH4]+ 308.08927 179.6
[M+K]+ 329.01861 166.1
[M+H-H2O]+ 273.05271 152.2
[M+HCOO]- 335.05365 179.7
[M+CH3COO]- 349.06930 200.8
[M+Na-2H]- 311.03012 163.5
[M]+ 290.05490 157.9
[M]- 290.05600 157.9
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