CID 209825

20545-21-5

Structural Information

Molecular Formula
C11H14NO4P
SMILES
COP(=O)(C1CC(=NO1)C2=CC=CC=C2)OC
InChI
InChI=1S/C11H14NO4P/c1-14-17(13,15-2)11-8-10(12-16-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKey
ZCSMFXFBNYPRNZ-UHFFFAOYSA-N
Compound name
5-dimethoxyphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

255.06604 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07332 155.3
[M+Na]+ 278.05526 162.5
[M-H]- 254.05876 160.2
[M+NH4]+ 273.09986 171.6
[M+K]+ 294.02920 162.8
[M+H-H2O]+ 238.06330 145.9
[M+HCOO]- 300.06424 182.2
[M+CH3COO]- 314.07989 191.8
[M+Na-2H]- 276.04071 158.6
[M]+ 255.06549 159.6
[M]- 255.06659 159.6
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

patents stripe