CID 2758846

Ethyl 3-fluoro-4-methylbenzoylformate

Structural Information

Molecular Formula
C11H11FO3
SMILES
CCOC(=O)C(=O)C1=CC(=C(C=C1)C)F
InChI
InChI=1S/C11H11FO3/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6H,3H2,1-2H3
InChIKey
VUTUZFBEEDJHDS-UHFFFAOYSA-N
Compound name
ethyl 2-(3-fluoro-4-methylphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06923 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07651 141.5
[M+Na]+ 233.05845 150.0
[M-H]- 209.06195 144.3
[M+NH4]+ 228.10305 160.6
[M+K]+ 249.03239 148.6
[M+H-H2O]+ 193.06649 134.9
[M+HCOO]- 255.06743 163.5
[M+CH3COO]- 269.08308 187.7
[M+Na-2H]- 231.04390 144.3
[M]+ 210.06868 143.4
[M]- 210.06978 143.4
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

No patent data available for this compound.