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 159.4
[M+Na]+ 295.04962 168.2
[M-H]- 271.05312 166.1
[M+NH4]+ 290.09422 176.6
[M+K]+ 311.02356 162.4
[M+H-H2O]+ 255.05766 152.8
[M+HCOO]- 317.05860 178.5
[M+CH3COO]- 331.07425 196.6
[M+Na-2H]- 293.03507 163.3
[M]+ 272.05985 163.0
[M]- 272.06095 163.0
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.