CID 64473088

Methyl 3-(3,5-difluorophenoxy)-2-hydroxy-2-methylpropanoate

Structural Information

Molecular Formula
C11H12F2O4
SMILES
CC(COC1=CC(=CC(=C1)F)F)(C(=O)OC)O
InChI
InChI=1S/C11H12F2O4/c1-11(15,10(14)16-2)6-17-9-4-7(12)3-8(13)5-9/h3-5,15H,6H2,1-2H3
InChIKey
FKLUWLMIPMNILG-UHFFFAOYSA-N
Compound name
methyl 3-(3,5-difluorophenoxy)-2-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07036 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07764 149.3
[M+Na]+ 269.05958 157.7
[M-H]- 245.06308 149.4
[M+NH4]+ 264.10418 166.3
[M+K]+ 285.03352 156.1
[M+H-H2O]+ 229.06762 142.2
[M+HCOO]- 291.06856 168.1
[M+CH3COO]- 305.08421 190.3
[M+Na-2H]- 267.04503 153.1
[M]+ 246.06981 150.4
[M]- 246.07091 150.4
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.