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]+ 243.046336 145.5
[M+Na]+ 265.028278 154.0
[M-H]- 241.031784 146.9
[M+NH4]+ 260.072883 162.9
[M+K]+ 281.002218 152.6
[M+H-H2O]+ 225.036320 137.9
[M+HCOO]- 287.037261 165.8
[M+CH3COO]- 301.052911 192.6
[M+Na-2H]- 263.013726 146.6
[M]+ 242.03851142 146.4
[M]- 242.03960858 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