CID 6474675

2'-hydroxy-5'-iodochalcone

Structural Information

Molecular Formula
C15H11IO2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)I)O
InChI
InChI=1S/C15H11IO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+
InChIKey
MHFVYURUDHIERL-SOFGYWHQSA-N
Compound name
(E)-1-(2-hydroxy-5-iodophenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.98038 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.98766 164.2
[M+Na]+ 372.96960 164.5
[M-H]- 348.97310 162.2
[M+NH4]+ 368.01420 175.8
[M+K]+ 388.94354 165.7
[M+H-H2O]+ 332.97764 153.3
[M+HCOO]- 394.97858 181.0
[M+CH3COO]- 408.99423 198.2
[M+Na-2H]- 370.95505 156.0
[M]+ 349.97983 160.5
[M]- 349.98093 160.5
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.