CID 22312159

Methyl 2-(3,5-difluorophenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC(=O)C(C1=CC(=CC(=C1)F)F)O
InChI
InChI=1S/C9H8F2O3/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8,12H,1H3
InChIKey
UZOWGTYLHKCRKG-UHFFFAOYSA-N
Compound name
methyl 2-(3,5-difluorophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

202.04414 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 137.2
[M+Na]+ 225.033358 145.9
[M-H]- 201.036864 137.5
[M+NH4]+ 220.077963 155.9
[M+K]+ 241.007298 144.2
[M+H-H2O]+ 185.041400 130.1
[M+HCOO]- 247.042341 157.0
[M+CH3COO]- 261.057991 182.7
[M+Na-2H]- 223.018806 139.9
[M]+ 202.04359142 136.0
[M]- 202.04468858 136.0
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