CID 6474689

2'-hydroxy-4-iodochalcone

Structural Information

Molecular Formula
C15H11IO2
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)I)O
InChI
InChI=1S/C15H11IO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H/b10-7+
InChIKey
YEYSDLKMVUYJEO-JXMROGBWSA-N
Compound name
(E)-1-(2-hydroxyphenyl)-3-(4-iodophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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

patents stripe