CID 87955

P-nitrophenyl selenocyanate

Structural Information

Molecular Formula

C₇H₄N₂O₂Se

SMILES

C1=CC(=CC=C1[N+](=O)[O-])[Se]C#N

InChI

InChI=1S/C7H4N2O2Se/c8-5-12-7-3-1-6(2-4-7)9(10)11/h1-4H

InChIKey

LYYFVURGFMABJL-UHFFFAOYSA-N

Compound name

(4-nitrophenyl) selenocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 227.9438 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]+	228.95108	148.2
[M+Na]+	250.93302	157.3
[M-H]-	226.93652	151.1
[M+NH4]+	245.97762	165.4
[M+K]+	266.90696	150.9
[M+H-H2O]+	210.94106	139.5
[M+HCOO]-	272.94200	169.6
[M+CH3COO]-	286.95765	187.3
[M+Na-2H]-	248.91847	154.5
[M]+	227.94325	142.0
[M]-	227.94435	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe