CID 5271518

644973-49-9

Structural Information

Molecular Formula
C15H11IO3
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=CC(=C3)I)O
InChI
InChI=1S/C15H11IO3/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,14-15,18H
InChIKey
FXNAAQCKXYNTRH-UHFFFAOYSA-N
Compound name
3-hydroxy-6-iodo-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.97528 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.98256 163.0
[M+Na]+ 388.96450 164.4
[M-H]- 364.96800 162.6
[M+NH4]+ 384.00910 174.0
[M+K]+ 404.93844 167.1
[M+H-H2O]+ 348.97254 152.0
[M+HCOO]- 410.97348 176.9
[M+CH3COO]- 424.98913 170.8
[M+Na-2H]- 386.94995 157.0
[M]+ 365.97473 159.5
[M]- 365.97583 159.5
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.