CID 81311

Acetylphosphonic acid

Structural Information

Molecular Formula
C2H5O4P
SMILES
CC(=O)P(=O)(O)O
InChI
InChI=1S/C2H5O4P/c1-2(3)7(4,5)6/h1H3,(H2,4,5,6)
InChIKey
TYVWLCJTWHVKRD-UHFFFAOYSA-N
Compound name
acetylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

646
Patents

123.992546 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.999822 122.1
[M+Na]+ 146.981764 130.3
[M-H]- 122.985270 119.2
[M+NH4]+ 142.026369 143.5
[M+K]+ 162.955704 130.5
[M+H-H2O]+ 106.989806 116.7
[M+HCOO]- 168.990747 148.1
[M+CH3COO]- 183.006397 163.9
[M+Na-2H]- 144.967212 126.2
[M]+ 123.99199742 122.9
[M]- 123.99309458 122.9
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