CID 2758957

24106-86-3

Structural Information

Molecular Formula
C13H15FO3
SMILES
CCOC(=O)C(CC1=CC=CC=C1F)C(=O)C
InChI
InChI=1S/C13H15FO3/c1-3-17-13(16)11(9(2)15)8-10-6-4-5-7-12(10)14/h4-7,11H,3,8H2,1-2H3
InChIKey
FYIXPASNYHVDHS-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

238.10052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10780 154.3
[M+Na]+ 261.08974 164.5
[M+NH4]+ 256.13434 160.4
[M+K]+ 277.06368 159.5
[M-H]- 237.09324 153.4
[M+Na-2H]- 259.07519 158.2
[M]+ 238.09997 155.2
[M]- 238.10107 155.2
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