CID 518696

Iron trioxide

Structural Information

Molecular Formula

SMILES

O=[Fe]O[Fe]=O

InChI

InChI=1S/2Fe.3O

InChIKey

JEIPFZHSYJVQDO-UHFFFAOYSA-N

Compound name

oxo(oxoferriooxy)iron

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 8582
References: 216166
Patents: 159.85461 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]+	160.861886	120.7
[M+Na]+	182.843828	129.6
[M-H]-	158.847334	121.1
[M+NH4]+	177.888433	144.2
[M+K]+	198.817768	130.3
[M+H-H2O]+	142.851870	116.1
[M+HCOO]-	204.852811	146.1
[M+CH3COO]-	218.868461	161.8
[M+Na-2H]-	180.829276	128.6
[M]+	159.85406142	123.5
[M]-	159.85515858	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe