CID 6479055

Chembl2332164

Structural Information

Molecular Formula
C17H12Cl2O3
SMILES
C1=CC(=CC=C1/C=C/C(=O)/C=C(/C2=C(C=CC(=C2)Cl)O)\O)Cl
InChI
InChI=1S/C17H12Cl2O3/c18-12-4-1-11(2-5-12)3-7-14(20)10-17(22)15-9-13(19)6-8-16(15)21/h1-10,21-22H/b7-3+,17-10-
InChIKey
YSIFLHYRLDGWDS-WSVDPELGSA-N
Compound name
(1Z,4E)-1-(5-chloro-2-hydroxyphenyl)-5-(4-chlorophenyl)-1-hydroxypenta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.01636 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02364 170.5
[M+Na]+ 357.00558 179.3
[M-H]- 333.00908 174.2
[M+NH4]+ 352.05018 184.4
[M+K]+ 372.97952 171.0
[M+H-H2O]+ 317.01362 165.5
[M+HCOO]- 379.01456 180.8
[M+CH3COO]- 393.03021 201.8
[M+Na-2H]- 354.99103 170.6
[M]+ 334.01581 172.7
[M]- 334.01691 172.7
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.