CID 13779705

7-fluorochromone-3-carboxaldehyde

Structural Information

Molecular Formula
C10H5FO3
SMILES
C1=CC2=C(C=C1F)OC=C(C2=O)C=O
InChI
InChI=1S/C10H5FO3/c11-7-1-2-8-9(3-7)14-5-6(4-12)10(8)13/h1-5H
InChIKey
QSWSDWVNEPDHIG-UHFFFAOYSA-N
Compound name
7-fluoro-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

192.02228 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02956 131.6
[M+Na]+ 215.01150 143.5
[M-H]- 191.01500 136.8
[M+NH4]+ 210.05610 151.5
[M+K]+ 230.98544 141.6
[M+H-H2O]+ 175.01954 125.1
[M+HCOO]- 237.02048 154.9
[M+CH3COO]- 251.03613 182.5
[M+Na-2H]- 212.99695 140.9
[M]+ 192.02173 134.3
[M]- 192.02283 134.3
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