CID 6391401

12161-08-9

Structural Information

Molecular Formula
H2O3Zr
SMILES
O[Zr](=O)O
InChI
InChI=1S/2H2O.O.Zr/h2*1H2;;/q;;;+2/p-2
InChIKey
LWOSHKSQGMBYCN-UHFFFAOYSA-L
Compound name
dihydroxy(oxo)zirconium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20991
Patents

139.90509 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.912366 119.8
[M+Na]+ 162.894308 127.7
[M-H]- 138.897814 117.5
[M+NH4]+ 157.938913 142.3
[M+K]+ 178.868248 127.7
[M+H-H2O]+ 122.902350 115.7
[M+HCOO]- 184.903291 141.3
[M+CH3COO]- 198.918941 155.3
[M+Na-2H]- 160.879756 125.7
[M]+ 139.90454142 118.4
[M]- 139.90563858 118.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe