CID 210812

Dimethyl 5-phenyl-3-isoxazolyl phosphate

Structural Information

Molecular Formula
C11H12NO5P
SMILES
COP(=O)(OC)OC1=NOC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H12NO5P/c1-14-18(13,15-2)17-11-8-10(16-12-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
LKEFZHUOLJHKRK-UHFFFAOYSA-N
Compound name
dimethyl (5-phenyl-1,2-oxazol-3-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05260 156.4
[M+Na]+ 292.03454 164.4
[M-H]- 268.03804 161.7
[M+NH4]+ 287.07914 172.1
[M+K]+ 308.00848 165.2
[M+H-H2O]+ 252.04258 146.8
[M+HCOO]- 314.04352 184.9
[M+CH3COO]- 328.05917 193.6
[M+Na-2H]- 290.01999 160.9
[M]+ 269.04477 163.5
[M]- 269.04587 163.5
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.