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
4
Annotation Hits

60
References

611
Patents

123.992546 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.999822 122.3
[M+Na]+ 146.981764 130.8
[M-H]- 122.985270 119.3
[M+NH4]+ 142.026369 143.8
[M+K]+ 162.955704 130.4
[M+H-H2O]+ 106.989806 116.8
[M+HCOO]- 168.990747 149.2
[M+CH3COO]- 183.006397 163.1
[M+Na-2H]- 144.967212 127.6
[M]+ 123.99199742 123.8
[M]- 123.99309458 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