CID 11776001

Ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate

Structural Information

Molecular Formula
C11H12F2O3
SMILES
CCOC(=O)C(C(C1=CC=CC=C1)(F)F)O
InChI
InChI=1S/C11H12F2O3/c1-2-16-10(15)9(14)11(12,13)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChIKey
QDBWHAAEZOWYOG-UHFFFAOYSA-N
Compound name
ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07545 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08273 147.6
[M+Na]+ 253.06467 154.0
[M-H]- 229.06817 147.0
[M+NH4]+ 248.10927 164.6
[M+K]+ 269.03861 152.2
[M+H-H2O]+ 213.07271 140.3
[M+HCOO]- 275.07365 165.2
[M+CH3COO]- 289.08930 186.7
[M+Na-2H]- 251.05012 151.3
[M]+ 230.07490 145.8
[M]- 230.07600 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.