CID 425760

Acetonylphosphonate

Structural Information

Molecular Formula
C3H7O4P
SMILES
CC(=O)CP(=O)(O)O
InChI
InChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)
InChIKey
DVSHXLWNRCEDCW-UHFFFAOYSA-N
Compound name
2-oxopropylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

506
Patents

138.0082 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01548 126.9
[M+Na]+ 160.99742 134.7
[M-H]- 137.00092 123.9
[M+NH4]+ 156.04202 147.8
[M+K]+ 176.97136 134.7
[M+H-H2O]+ 121.00546 121.3
[M+HCOO]- 183.00640 152.6
[M+CH3COO]- 197.02205 167.0
[M+Na-2H]- 158.98287 130.5
[M]+ 138.00765 128.1
[M]- 138.00875 128.1
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