CID 62215035

Ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate

Structural Information

Molecular Formula
C11H12F2O3
SMILES
CCOC(=O)C(C)(C1=CC(=C(C=C1)F)F)O
InChI
InChI=1S/C11H12F2O3/c1-3-16-10(14)11(2,15)7-4-5-8(12)9(13)6-7/h4-6,15H,3H2,1-2H3
InChIKey
BMZNKALOFWFKAS-UHFFFAOYSA-N
Compound name
ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07545 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08273 146.3
[M+Na]+ 253.06467 154.8
[M-H]- 229.06817 146.5
[M+NH4]+ 248.10927 164.1
[M+K]+ 269.03861 152.7
[M+H-H2O]+ 213.07271 139.4
[M+HCOO]- 275.07365 164.9
[M+CH3COO]- 289.08930 188.2
[M+Na-2H]- 251.05012 150.0
[M]+ 230.07490 145.9
[M]- 230.07600 145.9
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.