CID 490

Phosphonoacetaldehyde

Structural Information

Molecular Formula
C2H5O4P
SMILES
C(C=O)P(=O)(O)O
InChI
InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
InChIKey
YEMKIGUKNDOZEG-UHFFFAOYSA-N
Compound name
2-oxoethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

60
References

593
Patents

123.992546 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.99982 122.3
[M+Na]+ 146.98176 130.8
[M-H]- 122.98527 119.3
[M+NH4]+ 142.02637 143.8
[M+K]+ 162.95570 130.4
[M+H-H2O]+ 106.98981 116.8
[M+HCOO]- 168.99075 149.2
[M+CH3COO]- 183.00640 163.1
[M+Na-2H]- 144.96721 127.6
[M]+ 123.99200 123.8
[M]- 123.99309 123.8
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