CID 510

Trimetaphosphoric acid

Structural Information

Molecular Formula
H3O9P3
SMILES
OP1(=O)OP(=O)(OP(=O)(O1)O)O
InChI
InChI=1S/H3O9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h(H,1,2)(H,3,4)(H,5,6)
InChIKey
AZSFNUJOCKMOGB-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

159
References

6671
Patents

239.89899 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.90627 137.6
[M+Na]+ 262.88821 147.0
[M-H]- 238.89171 136.9
[M+NH4]+ 257.93281 155.9
[M+K]+ 278.86215 151.6
[M+H-H2O]+ 222.89625 129.2
[M+HCOO]- 284.89719 170.0
[M+CH3COO]- 298.91284 180.2
[M+Na-2H]- 260.87366 145.1
[M]+ 239.89844 143.0
[M]- 239.89954 143.0
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