CID 3079422

Monoethyl 3-phenyl-2-isoxazolin-5-ylphosphonate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

255.06604 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07332 156.3
[M+Na]+ 278.05526 163.0
[M-H]- 254.05876 159.8
[M+NH4]+ 273.09986 171.8
[M+K]+ 294.02920 162.4
[M+H-H2O]+ 238.06330 147.0
[M+HCOO]- 300.06424 181.6
[M+CH3COO]- 314.07989 189.2
[M+Na-2H]- 276.04071 159.1
[M]+ 255.06549 158.6
[M]- 255.06659 158.6
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