CID 3076535

Brn 4763955

Structural Information

Molecular Formula
C19H15FO5
SMILES
CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H15FO5/c1-11(19(22)23-2)25-14-7-8-15-17(9-14)24-10-16(18(15)21)12-3-5-13(20)6-4-12/h3-11H,1-2H3
InChIKey
YOQRWJNZODQXJM-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.09036 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09764 177.3
[M+Na]+ 365.07958 191.9
[M+NH4]+ 360.12418 183.8
[M+K]+ 381.05352 185.6
[M-H]- 341.08308 181.0
[M+Na-2H]- 363.06503 183.7
[M]+ 342.08981 180.5
[M]- 342.09091 180.5
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.