CID 114902

N-(3,5-dichlorophenyl)-2-hydroxysuccinimide

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO₃

SMILES

C1C(C(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl)O

InChI

InChI=1S/C10H7Cl2NO3/c11-5-1-6(12)3-7(2-5)13-9(15)4-8(14)10(13)16/h1-3,8,14H,4H2

InChIKey

AAGBZCCQCVOKKA-UHFFFAOYSA-N

Compound name

1-(3,5-dichlorophenyl)-3-hydroxypyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 4
Patents: 258.9803 Da
Monoisotopic Mass: 1.4
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]+	259.98758	150.6
[M+Na]+	281.96952	162.4
[M-H]-	257.97302	155.0
[M+NH4]+	277.01412	169.1
[M+K]+	297.94346	156.4
[M+H-H2O]+	241.97756	145.9
[M+HCOO]-	303.97850	162.6
[M+CH3COO]-	317.99415	189.5
[M+Na-2H]-	279.95497	151.2
[M]+	258.97975	152.7
[M]-	258.98085	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe