CID 5937876

Nsc640543

Structural Information

Molecular Formula
C15H10Cl2O3
SMILES
C1=CC(=CC(=C1)O)C(=O)/C=C/C2=C(C(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C15H10Cl2O3/c16-11-6-10(15(20)13(17)8-11)4-5-14(19)9-2-1-3-12(18)7-9/h1-8,18,20H/b5-4+
InChIKey
NPRDILNAKUALDB-SNAWJCMRSA-N
Compound name
(E)-3-(3,5-dichloro-2-hydroxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0007 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.00798 162.4
[M+Na]+ 330.98992 172.8
[M-H]- 306.99342 166.7
[M+NH4]+ 326.03452 177.7
[M+K]+ 346.96386 165.2
[M+H-H2O]+ 290.99796 157.8
[M+HCOO]- 352.99890 174.0
[M+CH3COO]- 367.01455 197.7
[M+Na-2H]- 328.97537 164.0
[M]+ 308.00015 165.6
[M]- 308.00125 165.6
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.