CID 2759125

185302-86-7

Structural Information

Molecular Formula
C10H9FO3
SMILES
COC(=O)CC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKey
HVFIYFIBZJWQAE-UHFFFAOYSA-N
Compound name
methyl 3-(2-fluorophenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

196.05357 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.060846 137.8
[M+Na]+ 219.042788 145.8
[M-H]- 195.046294 140.4
[M+NH4]+ 214.087393 157.1
[M+K]+ 235.016728 144.6
[M+H-H2O]+ 179.050830 131.1
[M+HCOO]- 241.051771 160.1
[M+CH3COO]- 255.067421 183.5
[M+Na-2H]- 217.028236 141.8
[M]+ 196.05302142 138.9
[M]- 196.05411858 138.9
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

patents stripe