CID 3049760

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

Structural Information

Molecular Formula
C15H16FNO
SMILES
C1CCN(CC1)/C=C/2\CC3=C(C2=O)C=CC(=C3)F
InChI
InChI=1S/C15H16FNO/c16-13-4-5-14-11(9-13)8-12(15(14)18)10-17-6-2-1-3-7-17/h4-5,9-10H,1-3,6-8H2/b12-10+
InChIKey
VEMLSDZAVGQGRJ-ZRDIBKRKSA-N
Compound name
(2E)-5-fluoro-2-(piperidin-1-ylmethylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1216 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12888 155.8
[M+Na]+ 268.11082 162.7
[M-H]- 244.11432 160.0
[M+NH4]+ 263.15542 174.6
[M+K]+ 284.08476 157.4
[M+H-H2O]+ 228.11886 147.4
[M+HCOO]- 290.11980 172.9
[M+CH3COO]- 304.13545 167.0
[M+Na-2H]- 266.09627 156.7
[M]+ 245.12105 149.5
[M]- 245.12215 149.5
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.