CID 13771081

Methyl 4-(2,6-difluorophenyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C11H8F2O4
SMILES
COC(=O)C(=O)CC(=O)C1=C(C=CC=C1F)F
InChI
InChI=1S/C11H8F2O4/c1-17-11(16)9(15)5-8(14)10-6(12)3-2-4-7(10)13/h2-4H,5H2,1H3
InChIKey
SINDSIHKSFOEOX-UHFFFAOYSA-N
Compound name
methyl 4-(2,6-difluorophenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.03906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04634 145.5
[M+Na]+ 265.02828 154.0
[M-H]- 241.03178 146.9
[M+NH4]+ 260.07288 162.9
[M+K]+ 281.00222 152.6
[M+H-H2O]+ 225.03632 137.9
[M+HCOO]- 287.03726 165.8
[M+CH3COO]- 301.05291 192.6
[M+Na-2H]- 263.01373 146.6
[M]+ 242.03851 146.4
[M]- 242.03961 146.4
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