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]+ 302.09422 172.3
[M+Na]+ 324.07616 179.7
[M-H]- 300.07966 181.1
[M+NH4]+ 319.12076 188.7
[M+K]+ 340.05010 174.8
[M+H-H2O]+ 284.08420 164.9
[M+HCOO]- 346.08514 188.6
[M+CH3COO]- 360.10079 183.8
[M+Na-2H]- 322.06161 171.0
[M]+ 301.08639 173.2
[M]- 301.08749 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.