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]+ 211.076506 141.5
[M+Na]+ 233.058448 150.0
[M-H]- 209.061954 144.3
[M+NH4]+ 228.103053 160.6
[M+K]+ 249.032388 148.6
[M+H-H2O]+ 193.066490 134.9
[M+HCOO]- 255.067431 163.5
[M+CH3COO]- 269.083081 187.7
[M+Na-2H]- 231.043896 144.3
[M]+ 210.06868142 143.4
[M]- 210.06977858 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.