CID 302907

835-08-5

Structural Information

Molecular Formula

C₁₂H₉ClO₃

SMILES

C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)O

InChI

InChI=1S/C12H9ClO3/c13-10-5-6-11(16-7-12(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)

InChIKey

MNLRUNHEJYLLBJ-UHFFFAOYSA-N

Compound name

2-(4-chloronaphthalen-1-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 236.02402 Da
Monoisotopic Mass: 3.4
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]+	237.03130	145.9
[M+Na]+	259.01324	160.7
[M+NH4]+	254.05784	154.9
[M+K]+	274.98718	153.5
[M-H]-	235.01674	148.2
[M+Na-2H]-	256.99869	152.9
[M]+	236.02347	149.0
[M]-	236.02457	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe