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]+ 290.09422 166.6
[M+Na]+ 312.07616 173.3
[M-H]- 288.07966 175.0
[M+NH4]+ 307.12076 181.6
[M+K]+ 328.05010 169.1
[M+H-H2O]+ 272.08420 158.5
[M+HCOO]- 334.08514 180.8
[M+CH3COO]- 348.10079 177.8
[M+Na-2H]- 310.06161 167.6
[M]+ 289.08639 165.8
[M]- 289.08749 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.