CID 5712176

14385-64-9

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 149.9
[M+Na]+ 255.01833 159.1
[M-H]- 231.02183 157.4
[M+NH4]+ 250.06293 169.0
[M+K]+ 270.99227 155.0
[M+H-H2O]+ 215.02637 144.3
[M+HCOO]- 277.02731 169.7
[M+CH3COO]- 291.04296 186.4
[M+Na-2H]- 253.00378 154.3
[M]+ 232.02856 153.3
[M]- 232.02966 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.