CID 166717

Trioxidane

Structural Information

Molecular Formula
H2O3
SMILES
OOO
InChI
InChI=1S/H2O3/c1-3-2/h1-2H
InChIKey
JSPLKZUTYZBBKA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119020
Patents

50.000393 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 51.007669 101.3
[M+Na]+ 72.989611 110.1
[M-H]- 48.993117 99.7
[M+NH4]+ 68.034216 125.2
[M+K]+ 88.963551 111.0
[M+H-H2O]+ 32.997653 98.1
[M+HCOO]- 94.998594 124.8
[M+CH3COO]- 109.01424 149.5
[M+Na-2H]- 70.975059 110.6
[M]+ 49.999844 100.9
[M]- 50.000942 100.9
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

No patent data available for this compound.