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

116863
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

literature stripe

Patent stripe

patents stripe