CID 209039

2-phenyl-5-(trifluoromethyl)-1h-indene-1,3(2h)-dione

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.05545 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.062726 160.8
[M+Na]+ 313.044668 171.8
[M-H]- 289.048174 165.5
[M+NH4]+ 308.089273 179.6
[M+K]+ 329.018608 166.1
[M+H-H2O]+ 273.052710 152.2
[M+HCOO]- 335.053651 179.7
[M+CH3COO]- 349.069301 200.8
[M+Na-2H]- 311.030116 163.5
[M]+ 290.05490142 157.9
[M]- 290.05599858 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