CID 3044202

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

Structural Information

Molecular Formula
C17H13FO2
SMILES
CCC1(C(=O)C2=C(C1=O)C=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C17H13FO2/c1-2-17(11-6-4-3-5-7-11)15(19)13-9-8-12(18)10-14(13)16(17)20/h3-10H,2H2,1H3
InChIKey
PRWPVRITUNFFJR-UHFFFAOYSA-N
Compound name
2-ethyl-5-fluoro-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08997 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09725 158.2
[M+Na]+ 291.07919 169.2
[M-H]- 267.08269 165.6
[M+NH4]+ 286.12379 179.9
[M+K]+ 307.05313 163.8
[M+H-H2O]+ 251.08723 151.1
[M+HCOO]- 313.08817 180.6
[M+CH3COO]- 327.10382 198.1
[M+Na-2H]- 289.06464 161.8
[M]+ 268.08942 158.7
[M]- 268.09052 158.7
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.