CID 91502

Goethite (fe(oh)o)

Structural Information

Molecular Formula
FeHO2
SMILES
O[Fe]=O
InChI
InChI=1S/Fe.H2O.O/h;1H2;/q+1;;/p-1
InChIKey
AEIXRCIKZIZYPM-UHFFFAOYSA-M
Compound name
hydroxy(oxo)iron
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

846
References

383
Patents

88.93259 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.939866 108.2
[M+Na]+ 111.92181 117.1
[M-H]- 87.925314 107.7
[M+NH4]+ 106.96641 132.7
[M+K]+ 127.89575 117.5
[M+H-H2O]+ 71.929850 104.6
[M+HCOO]- 133.93079 132.4
[M+CH3COO]- 147.94644 153.6
[M+Na-2H]- 109.90726 116.9
[M]+ 88.932041 107.9
[M]- 88.933139 107.9
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