CID 4494606

1-(5-(2-chlorophenyl)-2-furoyl)piperidine

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
C1CCN(CC1)C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H16ClNO2/c17-13-7-3-2-6-12(13)14-8-9-15(20-14)16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2
InChIKey
KVYIEKDAQQPQDC-UHFFFAOYSA-N
Compound name
[5-(2-chlorophenyl)furan-2-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.094216 166.6
[M+Na]+ 312.076158 173.3
[M-H]- 288.079664 175.0
[M+NH4]+ 307.120763 181.6
[M+K]+ 328.050098 169.1
[M+H-H2O]+ 272.084200 158.5
[M+HCOO]- 334.085141 180.8
[M+CH3COO]- 348.100791 177.8
[M+Na-2H]- 310.061606 167.6
[M]+ 289.08639142 165.8
[M]- 289.08748858 165.8
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.