CID 594886

10314-06-4

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)Cl

InChI

InChI=1S/C12H10ClNO3/c13-10(15)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5H,3,6-7H2

InChIKey

STXHPGKNMJVJKL-UHFFFAOYSA-N

Compound name

4-(1,3-dioxoisoindol-2-yl)butanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 251.03493 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]+	252.04221	151.5
[M+Na]+	274.02415	164.0
[M+NH4]+	269.06875	159.0
[M+K]+	289.99809	159.3
[M-H]-	250.02765	151.8
[M+Na-2H]-	272.00960	155.2
[M]+	251.03438	153.4
[M]-	251.03548	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe