CID 3014343

4-(2-chlorophenoxy)butanoic acid

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

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

InChI

InChI=1S/C10H11ClO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13)

InChIKey

VWIPYKNRDUDVDQ-UHFFFAOYSA-N

Compound name

4-(2-chlorophenoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 214.03967 Da
Monoisotopic Mass: 2.9
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]+	215.04695	142.6
[M+Na]+	237.02889	155.3
[M+NH4]+	232.07349	150.5
[M+K]+	253.00283	149.0
[M-H]-	213.03239	143.6
[M+Na-2H]-	235.01434	148.6
[M]+	214.03912	144.9
[M]-	214.04022	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe