CID 1815444

Chembl2332186

Structural Information

Molecular Formula
C17H13ClO2
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C17H13ClO2/c18-14-10-11-17(20)15(12-14)16(19)9-5-4-8-13-6-2-1-3-7-13/h1-12,20H/b8-4+,9-5+
InChIKey
XVROCITZRXZVRJ-KBXRYBNXSA-N
Compound name
(2E,4E)-1-(5-chloro-2-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0604 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06768 163.5
[M+Na]+ 307.04962 171.8
[M-H]- 283.05312 168.8
[M+NH4]+ 302.09422 179.5
[M+K]+ 323.02356 164.3
[M+H-H2O]+ 267.05766 157.1
[M+HCOO]- 329.05860 180.9
[M+CH3COO]- 343.07425 195.6
[M+Na-2H]- 305.03507 166.4
[M]+ 284.05985 164.8
[M]- 284.06095 164.8
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.