CID 466302

3-hydroxy-7-iodo-2-(4-methoxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C16H11IO4
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)I)O
InChI
InChI=1S/C16H11IO4/c1-20-11-5-2-9(3-6-11)16-15(19)14(18)12-7-4-10(17)8-13(12)21-16/h2-8,19H,1H3
InChIKey
JTXOYANWTYBIJB-UHFFFAOYSA-N
Compound name
3-hydroxy-7-iodo-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.9702 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.97748 171.4
[M+Na]+ 416.95942 175.0
[M-H]- 392.96292 171.9
[M+NH4]+ 412.00402 181.7
[M+K]+ 432.93336 177.9
[M+H-H2O]+ 376.96746 159.9
[M+HCOO]- 438.96840 187.7
[M+CH3COO]- 452.98405 207.2
[M+Na-2H]- 414.94487 165.8
[M]+ 393.96965 172.6
[M]- 393.97075 172.6
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.