CID 45051461

853356-07-7

Structural Information

Molecular Formula
C17H16ClNO2
SMILES
C1CCN(C1)C(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H16ClNO2/c18-15-6-2-1-5-14(15)16-9-7-13(21-16)8-10-17(20)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2/b10-8+
InChIKey
VHGYGPAPKHEQPS-CSKARUKUSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.08694 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.094216 172.3
[M+Na]+ 324.076158 179.7
[M-H]- 300.079664 181.1
[M+NH4]+ 319.120763 188.7
[M+K]+ 340.050098 174.8
[M+H-H2O]+ 284.084200 164.9
[M+HCOO]- 346.085141 188.6
[M+CH3COO]- 360.100791 183.8
[M+Na-2H]- 322.061606 171.0
[M]+ 301.08639142 173.2
[M]- 301.08748858 173.2
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.