CID 25200556

2-phosphono-3-sulfoproprionate

Structural Information

Molecular Formula
C2H5O8PS
SMILES
C(C(=O)O)(P(=O)(O)O)S(=O)(=O)O
InChI
InChI=1S/C2H5O8PS/c3-1(4)2(11(5,6)7)12(8,9)10/h2H,(H,3,4)(H2,5,6,7)(H,8,9,10)
InChIKey
VBVRZFXJOVCTGU-UHFFFAOYSA-N
Compound name
2-phosphono-2-sulfoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.94427 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.95155 136.1
[M+Na]+ 242.93349 142.2
[M-H]- 218.93699 130.0
[M+NH4]+ 237.97809 151.6
[M+K]+ 258.90743 141.6
[M+H-H2O]+ 202.94153 129.9
[M+HCOO]- 264.94247 152.5
[M+CH3COO]- 278.95812 171.8
[M+Na-2H]- 240.91894 137.8
[M]+ 219.94372 137.7
[M]- 219.94482 137.7
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.