CID 71212169

5-fluorospiro[indene-2,4'-piperidin]-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C13H14FNO
SMILES
C1CNCCC12CC3=C(C2=O)C=CC(=C3)F
InChI
InChI=1S/C13H14FNO/c14-10-1-2-11-9(7-10)8-13(12(11)16)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKey
KEDXQEPUPSNRKA-UHFFFAOYSA-N
Compound name
5-fluorospiro[3H-indene-2,4'-piperidine]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

219.10594 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11322 148.3
[M+Na]+ 242.09516 156.2
[M-H]- 218.09866 150.7
[M+NH4]+ 237.13976 169.9
[M+K]+ 258.06910 150.9
[M+H-H2O]+ 202.10320 140.9
[M+HCOO]- 264.10414 164.4
[M+CH3COO]- 278.11979 159.9
[M+Na-2H]- 240.08061 152.2
[M]+ 219.10539 141.0
[M]- 219.10649 141.0
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

patents stripe