CID 262103

19667-37-9

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

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

InChI

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

InChIKey

KBRVYEPWGIQEOF-UHFFFAOYSA-N

Compound name

2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 239.03493 Da
Monoisotopic Mass: 1.5
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]+	240.04221	148.2
[M+Na]+	262.02415	160.3
[M+NH4]+	257.06875	155.8
[M+K]+	277.99809	156.3
[M-H]-	238.02765	148.2
[M+Na-2H]-	260.00960	151.7
[M]+	239.03438	150.0
[M]-	239.03548	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe