CID 4192178

N-(2,2,2-trichloroethoxycarbonyloxy)succinimide

Structural Information

Molecular Formula

C₇H₆Cl₃NO₅

SMILES

C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C7H6Cl3NO5/c8-7(9,10)3-15-6(14)16-11-4(12)1-2-5(11)13/h1-3H2

InChIKey

WBZXNGAFYBGQFE-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 288.93115 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]+	289.93843	153.5
[M+Na]+	311.92037	163.0
[M-H]-	287.92387	154.7
[M+NH4]+	306.96497	170.8
[M+K]+	327.89431	159.5
[M+H-H2O]+	271.92841	150.1
[M+HCOO]-	333.92935	159.2
[M+CH3COO]-	347.94500	191.8
[M+Na-2H]-	309.90582	155.0
[M]+	288.93060	157.9
[M]-	288.93170	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe