CID 3079441

Diammonium (3-(2-pyridinyl)-5-isoxazolyl)phosphonate

Structural Information

Molecular Formula
C8H7N2O4P
SMILES
C1=CC=NC(=C1)C2=NOC(=C2)P(=O)(O)O
InChI
InChI=1S/C8H7N2O4P/c11-15(12,13)8-5-7(10-14-8)6-3-1-2-4-9-6/h1-5H,(H2,11,12,13)
InChIKey
LSSVYYMXCFBVHE-UHFFFAOYSA-N
Compound name
(3-pyridin-2-yl-1,2-oxazol-5-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.01434 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02162 146.1
[M+Na]+ 249.00356 154.5
[M-H]- 225.00706 147.7
[M+NH4]+ 244.04816 160.6
[M+K]+ 264.97750 153.4
[M+H-H2O]+ 209.01160 136.6
[M+HCOO]- 271.01254 170.9
[M+CH3COO]- 285.02819 180.2
[M+Na-2H]- 246.98901 150.6
[M]+ 226.01379 147.2
[M]- 226.01489 147.2
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