CID 3079425

(4,5-dihydro-3-(1-naphthalenyl)-5-isoxazolyl)methylphosphinic acid

Structural Information

Molecular Formula
C14H14NO3P
SMILES
CP(=O)(C1CC(=NO1)C2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C14H14NO3P/c1-19(16,17)14-9-13(15-18-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKey
VCZDPRGJLIEUPL-UHFFFAOYSA-N
Compound name
methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.07114 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07842 162.6
[M+Na]+ 298.06036 170.5
[M-H]- 274.06386 167.3
[M+NH4]+ 293.10496 178.5
[M+K]+ 314.03430 168.0
[M+H-H2O]+ 258.06840 153.3
[M+HCOO]- 320.06934 186.5
[M+CH3COO]- 334.08499 195.1
[M+Na-2H]- 296.04581 165.6
[M]+ 275.07059 163.6
[M]- 275.07169 163.6
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