CID 3045053

(3-phenyl-2-isoxazolin-5-ylmethyl)phosphonic acid

Structural Information

Molecular Formula
C10H12NO4P
SMILES
C1C(ON=C1C2=CC=CC=C2)CP(=O)(O)O
InChI
InChI=1S/C10H12NO4P/c12-16(13,14)7-9-6-10(11-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13,14)
InChIKey
FTLZZBIITBCWGS-UHFFFAOYSA-N
Compound name
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

241.0504 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.057676 152.4
[M+Na]+ 264.039618 159.1
[M-H]- 240.043124 154.7
[M+NH4]+ 259.084223 167.8
[M+K]+ 280.013558 157.8
[M+H-H2O]+ 224.047660 143.6
[M+HCOO]- 286.048601 176.5
[M+CH3COO]- 300.064251 183.8
[M+Na-2H]- 262.025066 155.3
[M]+ 241.04985142 152.5
[M]- 241.05094858 152.5
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