CID 3079421

3-phenyl-2-isoxazolin-5-yldimethylphosphine oxide

Structural Information

Molecular Formula
C11H14NO2P
SMILES
CP(=O)(C)C1CC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C11H14NO2P/c1-15(2,13)11-8-10(12-14-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKey
WCEFMFNOBWCAEV-UHFFFAOYSA-N
Compound name
5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

223.07622 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08350 150.1
[M+Na]+ 246.06544 157.7
[M-H]- 222.06894 155.1
[M+NH4]+ 241.11004 167.9
[M+K]+ 262.03938 156.8
[M+H-H2O]+ 206.07348 141.1
[M+HCOO]- 268.07442 176.6
[M+CH3COO]- 282.09007 187.5
[M+Na-2H]- 244.05089 153.0
[M]+ 223.07567 151.6
[M]- 223.07677 151.6
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