CID 545426

Diallyl hydrogen phosphate

Structural Information

Molecular Formula
C6H11O4P
SMILES
C=CCOP(=O)(O)OCC=C
InChI
InChI=1S/C6H11O4P/c1-3-5-9-11(7,8)10-6-4-2/h3-4H,1-2,5-6H2,(H,7,8)
InChIKey
FBCOERCPMMDNIL-UHFFFAOYSA-N
Compound name
bis(prop-2-enyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3078
Patents

178.03949 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04677 138.2
[M+Na]+ 201.02871 145.8
[M-H]- 177.03221 136.1
[M+NH4]+ 196.07331 158.3
[M+K]+ 217.00265 144.8
[M+H-H2O]+ 161.03675 131.9
[M+HCOO]- 223.03769 165.6
[M+CH3COO]- 237.05334 176.9
[M+Na-2H]- 199.01416 142.1
[M]+ 178.03894 142.6
[M]- 178.04004 142.6
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