CID 3253994

92635-22-8

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)OCCCCl

InChI

InChI=1S/C11H10ClNO3/c12-6-3-7-16-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2

InChIKey

MPNISWZNSIYENI-UHFFFAOYSA-N

Compound name

2-(3-chloropropoxy)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.03493 Da
Monoisotopic Mass: 2.3
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]+	240.042206	148.6
[M+Na]+	262.024148	159.4
[M-H]-	238.027654	152.1
[M+NH4]+	257.068753	169.0
[M+K]+	277.998088	155.0
[M+H-H2O]+	222.032190	143.1
[M+HCOO]-	284.033131	166.8
[M+CH3COO]-	298.048781	189.3
[M+Na-2H]-	260.009596	152.9
[M]+	239.03438142	153.8
[M]-	239.03547858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe