CID 81058

2,6-dichlorophenylacetic acid

Structural Information

Molecular Formula

C₈H₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

SFAILOOQFZNOAU-UHFFFAOYSA-N

Compound name

2-(2,6-dichlorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 780
Patents: 203.97449 Da
Monoisotopic Mass: 2.6
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]+	204.98177	136.0
[M+Na]+	226.96371	150.4
[M+NH4]+	222.00831	144.8
[M+K]+	242.93765	143.5
[M-H]-	202.96721	137.4
[M+Na-2H]-	224.94916	142.8
[M]+	203.97394	139.0
[M]-	203.97504	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe