CID 24212802

853331-32-5

Structural Information

Molecular Formula
C15H14ClNO2
SMILES
C1CCN(C1)C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H14ClNO2/c16-12-6-2-1-5-11(12)13-7-8-14(19-13)15(18)17-9-3-4-10-17/h1-2,5-8H,3-4,9-10H2
InChIKey
BXXCNMWEOWBCRU-UHFFFAOYSA-N
Compound name
[5-(2-chlorophenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07132 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07860 163.3
[M+Na]+ 298.06054 171.2
[M-H]- 274.06404 172.4
[M+NH4]+ 293.10514 180.7
[M+K]+ 314.03448 167.4
[M+H-H2O]+ 258.06858 156.2
[M+HCOO]- 320.06952 180.0
[M+CH3COO]- 334.08517 175.6
[M+Na-2H]- 296.04599 163.1
[M]+ 275.07077 164.3
[M]- 275.07187 164.3
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.