CID 13818

Methylphosphonic acid

Structural Information

Molecular Formula
CH5O3P
SMILES
CP(=O)(O)O
InChI
InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
InChIKey
YACKEPLHDIMKIO-UHFFFAOYSA-N
Compound name
methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

382
References

108230
Patents

95.99763 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.004906 116.9
[M+Na]+ 118.98685 125.6
[M-H]- 94.990354 114.1
[M+NH4]+ 114.03145 139.6
[M+K]+ 134.96079 125.6
[M+H-H2O]+ 78.994890 111.8
[M+HCOO]- 140.99583 143.7
[M+CH3COO]- 155.01148 158.9
[M+Na-2H]- 116.97230 122.5
[M]+ 95.997081 117.3
[M]- 95.998179 117.3
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.