CID 3079449

Dimethyl 3-(4-fluorophenyl)-2-isoxazolin-5-ylphosphonate

Structural Information

Molecular Formula
C11H13FNO4P
SMILES
COP(=O)(C1CC(=NO1)C2=CC=C(C=C2)F)OC
InChI
InChI=1S/C11H13FNO4P/c1-15-18(14,16-2)11-7-10(13-17-11)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3
InChIKey
BFJMRQPHTVKBHB-UHFFFAOYSA-N
Compound name
5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.0566 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06388 157.8
[M+Na]+ 296.04582 166.0
[M-H]- 272.04932 161.8
[M+NH4]+ 291.09042 173.6
[M+K]+ 312.01976 165.8
[M+H-H2O]+ 256.05386 147.7
[M+HCOO]- 318.05480 183.7
[M+CH3COO]- 332.07045 195.7
[M+Na-2H]- 294.03127 160.0
[M]+ 273.05605 161.4
[M]- 273.05715 161.4
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