CID 43651828

2413904-14-8

Structural Information

Molecular Formula

C₈H₅F₃O₃

SMILES

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

InChI

InChI=1S/C8H5F3O3/c9-5-1-3-6(4-2-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)

InChIKey

OWBDUXZUUDKLMS-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-(4-fluorophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 206.01907 Da
Monoisotopic Mass: 2.3
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]+	207.02635	135.4
[M+Na]+	229.00829	144.3
[M-H]-	205.01179	134.3
[M+NH4]+	224.05289	153.6
[M+K]+	244.98223	142.3
[M+H-H2O]+	189.01633	127.8
[M+HCOO]-	251.01727	153.9
[M+CH3COO]-	265.03292	181.4
[M+Na-2H]-	226.99374	140.8
[M]+	206.01852	132.4
[M]-	206.01962	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe