CID 5709469

52182-34-0

Structural Information

Molecular Formula
C16H13ClO2
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H13ClO2/c1-19-15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(17)11-12/h2-11H,1H3/b10-5+
InChIKey
UNNQBOJITJAFMT-BJMVGYQFSA-N
Compound name
(E)-3-(3-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0604 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06768 160.0
[M+Na]+ 295.04962 176.1
[M+NH4]+ 290.09422 168.9
[M+K]+ 311.02356 167.0
[M-H]- 271.05312 164.6
[M+Na-2H]- 293.03507 169.5
[M]+ 272.05985 164.1
[M]- 272.06095 164.1
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.