CID 154897

32306-29-9

Structural Information

Molecular Formula
C13H16NO5P
SMILES
CCOP(=O)(OCC)OC1=NOC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H16NO5P/c1-3-16-20(15,17-4-2)19-13-10-12(18-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey
VLBRWDJSOHOVGF-UHFFFAOYSA-N
Compound name
diethyl (5-phenyl-1,2-oxazol-3-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0766 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08388 166.1
[M+Na]+ 320.06582 173.2
[M-H]- 296.06932 171.1
[M+NH4]+ 315.11042 180.6
[M+K]+ 336.03976 173.5
[M+H-H2O]+ 280.07386 156.1
[M+HCOO]- 342.07480 193.9
[M+CH3COO]- 356.09045 199.6
[M+Na-2H]- 318.05127 169.5
[M]+ 297.07605 173.8
[M]- 297.07715 173.8
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.