CID 2758954

Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate

Structural Information

Molecular Formula
C12H11FO4
SMILES
CC(=O)C(C(=O)C1=CC=C(C=C1)F)C(=O)OC
InChI
InChI=1S/C12H11FO4/c1-7(14)10(12(16)17-2)11(15)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3
InChIKey
FVSKWULORMNCHA-UHFFFAOYSA-N
Compound name
methyl 2-(4-fluorobenzoyl)-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.06413 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07141 148.1
[M+Na]+ 261.05335 154.9
[M-H]- 237.05685 150.5
[M+NH4]+ 256.09795 165.4
[M+K]+ 277.02729 154.2
[M+H-H2O]+ 221.06139 141.1
[M+HCOO]- 283.06233 168.1
[M+CH3COO]- 297.07798 192.6
[M+Na-2H]- 259.03880 148.7
[M]+ 238.06358 149.5
[M]- 238.06468 149.5
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.