CID 3079420

Methyl (3-phenyl-2-isoxazolin-5-yl)methylphosphinate

Structural Information

Molecular Formula
C11H14NO3P
SMILES
COP(=O)(C)C1CC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C11H14NO3P/c1-14-16(2,13)11-8-10(12-15-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKey
VYDPLFYZCKNFFO-UHFFFAOYSA-N
Compound name
5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.07114 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07842 152.8
[M+Na]+ 262.06036 160.3
[M-H]- 238.06386 157.8
[M+NH4]+ 257.10496 169.9
[M+K]+ 278.03430 159.9
[M+H-H2O]+ 222.06840 143.6
[M+HCOO]- 284.06934 179.6
[M+CH3COO]- 298.08499 189.6
[M+Na-2H]- 260.04581 155.9
[M]+ 239.07059 155.7
[M]- 239.07169 155.7
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