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

literature stripe

Patent stripe

patents stripe