CID 5712176

3-(4-chlorophenyl)-1-(2-furyl)prop-2-en-1-one

Structural Information

Molecular Formula
C13H9ClO2
SMILES
C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9ClO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9H/b8-5+
InChIKey
JEWKNWKYSQMIEM-VMPITWQZSA-N
Compound name
(E)-3-(4-chlorophenyl)-1-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.02911 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03639 148.8
[M+Na]+ 255.01833 163.4
[M+NH4]+ 250.06293 157.7
[M+K]+ 270.99227 157.4
[M-H]- 231.02183 153.7
[M+Na-2H]- 253.00378 156.8
[M]+ 232.02856 152.6
[M]- 232.02966 152.6
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.