CID 466286

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

Structural Information

Molecular Formula
C16H11IO3
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)I
InChI
InChI=1S/C16H11IO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9H,1H3
InChIKey
REUPQRUSMGDUPU-UHFFFAOYSA-N
Compound name
7-iodo-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.97528 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.98256 166.2
[M+Na]+ 400.96450 169.6
[M-H]- 376.96800 167.6
[M+NH4]+ 396.00910 177.6
[M+K]+ 416.93844 172.5
[M+H-H2O]+ 360.97254 154.6
[M+HCOO]- 422.97348 183.9
[M+CH3COO]- 436.98913 175.2
[M+Na-2H]- 398.94995 161.8
[M]+ 377.97473 167.3
[M]- 377.97583 167.3
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.