CID 3049761

2,3-dihydro-2-((diphenylamino)methylene)-5-fluoro-1h-inden-1-one

Structural Information

Molecular Formula
C22H16FNO
SMILES
C\1C2=C(C=CC(=C2)F)C(=O)/C1=C/N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H16FNO/c23-18-11-12-21-16(14-18)13-17(22(21)25)15-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,14-15H,13H2/b17-15+
InChIKey
GFCODUWSHBNHPA-BMRADRMJSA-N
Compound name
(2E)-5-fluoro-2-[(N-phenylanilino)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.12158 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12886 177.3
[M+Na]+ 352.11080 184.7
[M-H]- 328.11430 187.9
[M+NH4]+ 347.15540 193.7
[M+K]+ 368.08474 178.1
[M+H-H2O]+ 312.11884 167.3
[M+HCOO]- 374.11978 200.4
[M+CH3COO]- 388.13543 188.7
[M+Na-2H]- 350.09625 179.4
[M]+ 329.12103 175.1
[M]- 329.12213 175.1
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.