CID 94998

N-(trichloromethylthio)succinimide

Structural Information

Molecular Formula

C₅H₄Cl₃NO₂S

SMILES

C1CC(=O)N(C1=O)SC(Cl)(Cl)Cl

InChI

InChI=1S/C5H4Cl3NO2S/c6-5(7,8)12-9-3(10)1-2-4(9)11/h1-2H2

InChIKey

QASYGYLAWGMUIP-UHFFFAOYSA-N

Compound name

1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 246.90283 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]+	247.91011	148.8
[M+Na]+	269.89205	159.0
[M-H]-	245.89555	150.4
[M+NH4]+	264.93665	168.4
[M+K]+	285.86599	154.2
[M+H-H2O]+	229.90009	146.0
[M+HCOO]-	291.90103	150.0
[M+CH3COO]-	305.91668	185.0
[M+Na-2H]-	267.87750	148.3
[M]+	246.90228	151.3
[M]-	246.90338	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe