CID 3079447

3-phenyl-2-isoxazolin-5-yl(p-methyl)phosphinic acid

Structural Information

Molecular Formula
C10H12NO3P
SMILES
CP(=O)(C1CC(=NO1)C2=CC=CC=C2)O
InChI
InChI=1S/C10H12NO3P/c1-15(12,13)10-7-9(11-14-10)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,13)
InChIKey
KXVRBUHBSWIKEN-UHFFFAOYSA-N
Compound name
methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.05548 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06276 149.0
[M+Na]+ 248.04470 156.4
[M-H]- 224.04820 152.7
[M+NH4]+ 243.08930 165.9
[M+K]+ 264.01864 155.4
[M+H-H2O]+ 208.05274 140.2
[M+HCOO]- 270.05368 174.5
[M+CH3COO]- 284.06933 184.0
[M+Na-2H]- 246.03015 152.1
[M]+ 225.05493 149.7
[M]- 225.05603 149.7
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