CID 14788

Pyrite

Structural Information

Molecular Formula
FeS2
SMILES
S=[Fe]=S
InChI
InChI=1S/Fe.2S
InChIKey
NFMAZVUSKIJEIH-UHFFFAOYSA-N
Compound name
bis(sulfanylidene)iron
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

985
References

7509
Patents

119.87908 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.88636 112.7
[M+Na]+ 142.86830 122.3
[M-H]- 118.87180 113.6
[M+NH4]+ 137.91290 137.1
[M+K]+ 158.84224 119.5
[M+H-H2O]+ 102.87634 108.4
[M+HCOO]- 164.87728 126.4
[M+CH3COO]- 178.89293 161.1
[M+Na-2H]- 140.85375 114.9
[M]+ 119.87853 113.4
[M]- 119.87963 113.4
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

patents stripe