CID 101450

Benzyl selenocyanate

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C[Se]C#N

InChI

InChI=1S/C8H7NSe/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

WSKWDMOVMQKKQI-UHFFFAOYSA-N

Compound name

benzyl selenocyanate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 64
Patents: 196.97437 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]+	197.98165	138.3
[M+Na]+	219.96359	147.7
[M-H]-	195.96709	141.1
[M+NH4]+	215.00819	157.6
[M+K]+	235.93753	144.1
[M+H-H2O]+	179.97163	125.8
[M+HCOO]-	241.97257	158.7
[M+CH3COO]-	255.98822	187.9
[M+Na-2H]-	217.94904	145.0
[M]+	196.97382	133.3
[M]-	196.97492	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe