CID 6327900

Methyl hydrogenphosphonate

Structural Information

Molecular Formula
CH4O3P
SMILES
CO[P+](=O)O
InChI
InChI=1S/CH3O3P/c1-4-5(2)3/h1H3/p+1
InChIKey
XAKRTGZVYPZHCO-UHFFFAOYSA-O
Compound name
hydroxy-methoxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

34142
Patents

94.98981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.997086 113.8
[M+Na]+ 117.97903 122.5
[M-H]- 93.982534 112.8
[M+NH4]+ 113.02363 137.0
[M+K]+ 133.95297 118.3
[M+H-H2O]+ 77.987070 111.0
[M+HCOO]- 139.98801 142.6
[M+CH3COO]- 154.00366 155.1
[M+Na-2H]- 115.96448 120.8
[M]+ 94.989261 114.8
[M]- 94.990359 114.8
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