CID 555340

Phenyl selenocyanate

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H5NSe/c8-6-9-7-4-2-1-3-5-7/h1-5H

InChIKey

NODWRXQVQYOJGN-UHFFFAOYSA-N

Compound name

phenyl selenocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 182.95872 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]+	183.96600	134.3
[M+Na]+	205.94794	144.0
[M-H]-	181.95144	137.2
[M+NH4]+	200.99254	154.0
[M+K]+	221.92188	140.7
[M+H-H2O]+	165.95598	122.0
[M+HCOO]-	227.95692	154.9
[M+CH3COO]-	241.97257	185.2
[M+Na-2H]-	203.93339	141.4
[M]+	182.95817	128.9
[M]-	182.95927	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe