CID 5302715

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

Structural Information

Molecular Formula
C16H13ClO2
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
InChIKey
RESSHTKZHPRDTR-NYYWCZLTSA-N
Compound name
(E)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

34
Patents

272.0604 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe