CID 241444

32449-49-3

Structural Information

Molecular Formula

C₁₁H₈N₂O₂Se

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC[Se]C#N

InChI

InChI=1S/C11H8N2O2Se/c12-7-16-6-5-13-10(14)8-3-1-2-4-9(8)11(13)15/h1-4H,5-6H2

InChIKey

UJUAYZXXNLITJJ-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)ethyl selenocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.9751 Da
Monoisotopic Mass: None
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]+	280.98238	157.0
[M+Na]+	302.96432	168.3
[M-H]-	278.96782	159.2
[M+NH4]+	298.00892	174.7
[M+K]+	318.93826	162.6
[M+H-H2O]+	262.97236	143.4
[M+HCOO]-	324.97330	175.1
[M+CH3COO]-	338.98895	201.3
[M+Na-2H]-	300.94977	159.8
[M]+	279.97455	153.7
[M]-	279.97565	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe