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

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]+ 232.11322 151.9
[M+Na]+ 254.09516 160.2
[M-H]- 230.09866 156.9
[M+NH4]+ 249.13976 173.2
[M+K]+ 270.06910 155.3
[M+H-H2O]+ 214.10320 144.5
[M+HCOO]- 276.10414 171.7
[M+CH3COO]- 290.11979 164.3
[M+Na-2H]- 252.08061 151.8
[M]+ 231.10539 147.7
[M]- 231.10649 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.