CID 12535337

N-(chloroacetoxy)succinimide

Structural Information

Molecular Formula

C₆H₆ClNO₄

SMILES

C1CC(=O)N(C1=O)OC(=O)CCl

InChI

InChI=1S/C6H6ClNO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h1-3H2

InChIKey

OWZGNRBFMASABS-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 190.99854 Da
Monoisotopic Mass: -0.1
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]+	192.00582	134.9
[M+Na]+	213.98776	144.7
[M+NH4]+	209.03236	141.3
[M+K]+	229.96170	142.5
[M-H]-	189.99126	133.2
[M+Na-2H]-	211.97321	137.3
[M]+	190.99799	135.6
[M]-	190.99909	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe