CID 6474678

Schembl25197992

Structural Information

Molecular Formula
C16H13ClO3
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)Cl)O
InChI
InChI=1S/C16H13ClO3/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,19H,1H3/b9-4+
InChIKey
YYLMGRCWHNSKRV-RUDMXATFSA-N
Compound name
(E)-1-(4-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

288.05533 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06261 162.2
[M+Na]+ 311.04455 171.3
[M-H]- 287.04805 167.9
[M+NH4]+ 306.08915 178.2
[M+K]+ 327.01849 165.4
[M+H-H2O]+ 271.05259 155.9
[M+HCOO]- 333.05353 179.9
[M+CH3COO]- 347.06918 197.4
[M+Na-2H]- 309.03000 165.0
[M]+ 288.05478 165.8
[M]- 288.05588 165.8
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.