CID 466283

1165-94-2

Structural Information

Molecular Formula
C18H15IO5
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)I
InChI
InChI=1S/C18H15IO5/c1-21-11-6-4-10(5-7-11)13-8-12(20)16-14(22-2)9-15(23-3)17(19)18(16)24-13/h4-9H,1-3H3
InChIKey
IQMRCLWZANBISD-UHFFFAOYSA-N
Compound name
8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

437.99643 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.00371 183.7
[M+Na]+ 460.98565 187.4
[M-H]- 436.98915 185.4
[M+NH4]+ 456.03025 193.0
[M+K]+ 476.95959 191.4
[M+H-H2O]+ 420.99369 171.3
[M+HCOO]- 482.99463 200.8
[M+CH3COO]- 497.01028 218.3
[M+Na-2H]- 458.97110 176.8
[M]+ 437.99588 188.8
[M]- 437.99698 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.