CID 5270552

4h-1-benzopyran-4-one,2,3-dihydro-7-iodo-2-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C16H13IO3
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)I
InChI
InChI=1S/C16H13IO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3
InChIKey
VKIFZKMYUCRUHY-UHFFFAOYSA-N
Compound name
7-iodo-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.99094 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.99822 166.6
[M+Na]+ 402.98016 168.0
[M-H]- 378.98366 167.3
[M+NH4]+ 398.02476 177.7
[M+K]+ 418.95410 171.3
[M+H-H2O]+ 362.98820 155.1
[M+HCOO]- 424.98914 181.6
[M+CH3COO]- 439.00479 206.7
[M+Na-2H]- 400.96561 160.5
[M]+ 379.99039 165.1
[M]- 379.99149 165.1
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.