CID 13979179

6-iodo-2h-chromen-2-one

Structural Information

Molecular Formula
C9H5IO2
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1I
InChI
InChI=1S/C9H5IO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKey
JMTPGBQVDFBWFT-UHFFFAOYSA-N
Compound name
6-iodochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

271.93344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.94072 134.9
[M+Na]+ 294.92266 138.5
[M-H]- 270.92616 133.6
[M+NH4]+ 289.96726 150.7
[M+K]+ 310.89660 142.8
[M+H-H2O]+ 254.93070 125.7
[M+HCOO]- 316.93164 153.7
[M+CH3COO]- 330.94729 185.9
[M+Na-2H]- 292.90811 133.4
[M]+ 271.93289 134.5
[M]- 271.93399 134.5
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.