CID 3049762

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

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

0
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]+ 232.113216 151.9
[M+Na]+ 254.095158 160.2
[M-H]- 230.098664 156.9
[M+NH4]+ 249.139763 173.2
[M+K]+ 270.069098 155.3
[M+H-H2O]+ 214.103200 144.5
[M+HCOO]- 276.104141 171.7
[M+CH3COO]- 290.119791 164.3
[M+Na-2H]- 252.080606 151.8
[M]+ 231.10539142 147.7
[M]- 231.10648858 147.7
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.