CID 3049762

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

Structural Information

Molecular Formula
C14H14FNO
SMILES
C1CCN(C1)/C=C/2\CC3=C(C2=O)C=CC(=C3)F
InChI
InChI=1S/C14H14FNO/c15-12-3-4-13-10(8-12)7-11(14(13)17)9-16-5-1-2-6-16/h3-4,8-9H,1-2,5-7H2/b11-9+
InChIKey
REWDWBODNWGDKJ-PKNBQFBNSA-N
Compound name
(2E)-5-fluoro-2-(pyrrolidin-1-ylmethylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

231.10594 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11322 154.9
[M+Na]+ 254.09516 165.4
[M+NH4]+ 249.13976 163.2
[M+K]+ 270.06910 161.6
[M-H]- 230.09866 156.4
[M+Na-2H]- 252.08061 158.7
[M]+ 231.10539 156.5
[M]- 231.10649 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.