CID 11694948

6-fluoro-3-iodochromone

Structural Information

Molecular Formula
C9H4FIO2
SMILES
C1=CC2=C(C=C1F)C(=O)C(=CO2)I
InChI
InChI=1S/C9H4FIO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H
InChIKey
MSSPXIPTHXEIBG-UHFFFAOYSA-N
Compound name
6-fluoro-3-iodochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

289.924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93128 136.5
[M+Na]+ 312.91322 141.0
[M-H]- 288.91672 134.3
[M+NH4]+ 307.95782 151.8
[M+K]+ 328.88716 144.9
[M+H-H2O]+ 272.92126 126.5
[M+HCOO]- 334.92220 154.3
[M+CH3COO]- 348.93785 189.5
[M+Na-2H]- 310.89867 133.9
[M]+ 289.92345 135.4
[M]- 289.92455 135.4
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