CID 3076534

Brn 4763202

Structural Information

Molecular Formula
C19H15FO5
SMILES
CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3F
InChI
InChI=1S/C19H15FO5/c1-11(19(22)23-2)25-12-7-8-14-17(9-12)24-10-15(18(14)21)13-5-3-4-6-16(13)20/h3-11H,1-2H3
InChIKey
VAQYDTIMHYEPIJ-UHFFFAOYSA-N
Compound name
methyl 2-[3-(2-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]+ 343.097636 176.0
[M+Na]+ 365.079578 185.1
[M-H]- 341.083084 183.6
[M+NH4]+ 360.124183 189.0
[M+K]+ 381.053518 183.2
[M+H-H2O]+ 325.087620 166.5
[M+HCOO]- 387.088561 195.7
[M+CH3COO]- 401.104211 212.3
[M+Na-2H]- 363.065026 179.5
[M]+ 342.08981142 181.0
[M]- 342.09090858 181.0
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.