CID 82716454

1556480-18-2

Structural Information

Molecular Formula

C₈H₄ClF₃O₃

SMILES

C1=CC(=C(C=C1OC(C(=O)O)(F)F)F)Cl

InChI

InChI=1S/C8H4ClF3O3/c9-5-2-1-4(3-6(5)10)15-8(11,12)7(13)14/h1-3H,(H,13,14)

InChIKey

JTDMNCAXPBHGAA-UHFFFAOYSA-N

Compound name

2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.9801 Da
Monoisotopic Mass: 3.0
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]+	240.98738	138.7
[M+Na]+	262.96932	149.3
[M-H]-	238.97282	137.9
[M+NH4]+	258.01392	156.7
[M+K]+	278.94326	145.3
[M+H-H2O]+	222.97736	132.2
[M+HCOO]-	284.97830	152.8
[M+CH3COO]-	298.99395	186.5
[M+Na-2H]-	260.95477	143.2
[M]+	239.97955	138.3
[M]-	239.98065	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe