CID 118646999

Ethyl 2,2-difluoro-2-(3-formylphenyl)acetate

Structural Information

Molecular Formula
C11H10F2O3
SMILES
CCOC(=O)C(C1=CC=CC(=C1)C=O)(F)F
InChI
InChI=1S/C11H10F2O3/c1-2-16-10(15)11(12,13)9-5-3-4-8(6-9)7-14/h3-7H,2H2,1H3
InChIKey
JEYPPNDBWNFIAJ-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-(3-formylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

228.0598 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06708 150.8
[M+Na]+ 251.04902 160.5
[M+NH4]+ 246.09362 156.2
[M+K]+ 267.02296 155.6
[M-H]- 227.05252 148.1
[M+Na-2H]- 249.03447 154.9
[M]+ 228.05925 151.1
[M]- 228.06035 151.1
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