CID 179839

Acetic acid, hydroxyphosphono-, trisodium salt

Structural Information

Molecular Formula
C2H5O6P
SMILES
C(C(=O)O)P(=O)(O)OO
InChI
InChI=1S/C2H5O6P/c3-2(4)1-9(6,7)8-5/h5H,1H2,(H,3,4)(H,6,7)
InChIKey
IQEKRNXJPCBUAT-UHFFFAOYSA-N
Compound name
2-[hydroperoxy(hydroxy)phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1071
Patents

155.98238 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.98966 128.1
[M+Na]+ 178.97160 134.6
[M+NH4]+ 174.01620 132.1
[M+K]+ 194.94554 134.6
[M-H]- 154.97510 122.3
[M+Na-2H]- 176.95705 127.9
[M]+ 155.98183 126.6
[M]- 155.98293 126.6
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