CID 654

Diethyl hydrogen phosphate

Structural Information

Molecular Formula
C4H11O4P
SMILES
CCOP(=O)(O)OCC
InChI
InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKey
UCQFCFPECQILOL-UHFFFAOYSA-N
Compound name
diethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

159
References

17368
Patents

154.03949 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04677 132.2
[M+Na]+ 177.02871 140.0
[M-H]- 153.03221 130.4
[M+NH4]+ 172.07331 153.4
[M+K]+ 193.00265 140.8
[M+H-H2O]+ 137.03675 126.1
[M+HCOO]- 199.03769 159.9
[M+CH3COO]- 213.05334 172.9
[M+Na-2H]- 175.01416 137.1
[M]+ 154.03894 137.2
[M]- 154.04004 137.2
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.