CID 721361

2-naphthyl (4-chlorophenoxy)acetate

Structural Information

Molecular Formula

C₁₈H₁₃ClO₃

SMILES

C1=CC=C2C=C(C=CC2=C1)OC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClO3/c19-15-6-9-16(10-7-15)21-12-18(20)22-17-8-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2

InChIKey

QMTFIYDRQYREAM-UHFFFAOYSA-N

Compound name

naphthalen-2-yl 2-(4-chlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.05533 Da
Monoisotopic Mass: 5.0
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]+	313.062606	168.6
[M+Na]+	335.044548	177.4
[M-H]-	311.048054	176.1
[M+NH4]+	330.089153	184.8
[M+K]+	351.018488	172.0
[M+H-H2O]+	295.052590	161.0
[M+HCOO]-	357.053531	186.7
[M+CH3COO]-	371.069181	203.2
[M+Na-2H]-	333.029996	174.6
[M]+	312.05478142	173.7
[M]-	312.05587858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.