CID 5222390

730-77-8

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₂

SMILES

COC1(C2=CC=CC=C2C(=O)N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18)

InChIKey

UDOFLZXMYNIXSO-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 273.05566 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]+	274.062936	159.6
[M+Na]+	296.044878	170.5
[M-H]-	272.048384	165.2
[M+NH4]+	291.089483	179.7
[M+K]+	312.018818	163.9
[M+H-H2O]+	256.052920	153.1
[M+HCOO]-	318.053861	176.1
[M+CH3COO]-	332.069511	172.2
[M+Na-2H]-	294.030326	164.4
[M]+	273.05511142	161.6
[M]-	273.05620858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe