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

17513
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

literature stripe

Patent stripe

patents stripe