CID 22312159

208259-37-4

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: 89
Patents: 202.04414 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.05142	137.2
[M+Na]+	225.03336	145.9
[M-H]-	201.03686	137.5
[M+NH4]+	220.07796	155.9
[M+K]+	241.00730	144.2
[M+H-H2O]+	185.04140	130.1
[M+HCOO]-	247.04234	157.0
[M+CH3COO]-	261.05799	182.7
[M+Na-2H]-	223.01881	139.9
[M]+	202.04359	136.0
[M]-	202.04469	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe