CID 3511391

886497-57-0

Structural Information

Molecular Formula

C₈H₅Cl₂FO₂

SMILES

C1=CC(=C(C(=C1F)CC(=O)O)Cl)Cl

InChI

InChI=1S/C8H5Cl2FO2/c9-5-1-2-6(11)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)

InChIKey

SQADAIPGCGGTQM-UHFFFAOYSA-N

Compound name

2-(2,3-dichloro-6-fluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 221.96506 Da
Monoisotopic Mass: 2.7
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]+	222.97234	135.6
[M+Na]+	244.95428	147.0
[M-H]-	220.95778	136.9
[M+NH4]+	239.99888	155.2
[M+K]+	260.92822	141.5
[M+H-H2O]+	204.96232	132.0
[M+HCOO]-	266.96326	148.2
[M+CH3COO]-	280.97891	184.4
[M+Na-2H]-	242.93973	139.2
[M]+	221.96451	138.1
[M]-	221.96561	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe