CID 15787963

Arsenopyrite

Structural Information

Molecular Formula

SMILES

[S-][As]=[Fe+]

InChI

InChI=1S/AsS.Fe/c1-2;/q-1;+1

InChIKey

NBAXRGRGNQMFAI-UHFFFAOYSA-N

Compound name

sulfidoarsanylideneiron(1+)

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 74
References: 0
Patents: 162.8286 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]+	163.83588	119.0
[M+Na]+	185.81782	132.0
[M+NH4]+	180.86242	129.3
[M+K]+	201.79176	124.8
[M-H]-	161.82132	120.9
[M+Na-2H]-	183.80327	123.0
[M]+	162.82805	121.8
[M]-	162.82915	121.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.