CID 15787963

Arsenopyrite

Structural Information

Molecular Formula
AsFeS
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.83588 123.4
[M+Na]+ 185.81782 131.7
[M-H]- 161.82132 122.6
[M+NH4]+ 180.86242 147.1
[M+K]+ 201.79176 125.4
[M+H-H2O]+ 145.82586 124.0
[M+HCOO]- 207.82680 141.4
[M+CH3COO]- 221.84245 152.2
[M+Na-2H]- 183.80327 127.9
[M]+ 162.82805 120.6
[M]- 162.82915 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.