CID 68665

Lonaprofen

Structural Information

Molecular Formula

C₁₄H₁₃ClO₃

SMILES

CC(C(=O)OC)OC1=C(C2=CC=CC=C2C=C1)Cl

InChI

InChI=1S/C14H13ClO3/c1-9(14(16)17-2)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3

InChIKey

QMDJJUBPSFSPCR-UHFFFAOYSA-N

Compound name

methyl 2-(1-chloronaphthalen-2-yl)oxypropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 264.05533 Da
Monoisotopic Mass: 4.1
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]+	265.062606	154.8
[M+Na]+	287.044548	163.9
[M-H]-	263.048054	159.6
[M+NH4]+	282.089153	173.7
[M+K]+	303.018488	160.3
[M+H-H2O]+	247.052590	149.4
[M+HCOO]-	309.053531	172.0
[M+CH3COO]-	323.069181	196.1
[M+Na-2H]-	285.029996	159.5
[M]+	264.05478142	160.7
[M]-	264.05587858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe