CID 159940

Metabisulfite

Structural Information

Molecular Formula
O5S2
SMILES
[O-]S(=O)S(=O)(=O)[O-]
InChI
InChI=1S/H2O5S2/c1-6(2)7(3,4)5/h(H,1,2)(H,3,4,5)/p-2
InChIKey
WBZKQQHYRPRKNJ-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

95
References

23506
Patents

143.91872 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.925996 123.8
[M+Na]+ 166.907938 132.0
[M-H]- 142.911444 121.6
[M+NH4]+ 161.952543 143.3
[M+K]+ 182.881878 131.3
[M+H-H2O]+ 126.915980 123.7
[M+HCOO]- 188.916921 135.7
[M+CH3COO]- 202.932571 161.5
[M+Na-2H]- 164.893386 125.6
[M]+ 143.91817142 123.6
[M]- 143.91926858 123.6
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