CID 3079431

(3-(2-pyridinyl)-2-isoxazolin-5-yl)phosphonic acid hydrobromide

Structural Information

Molecular Formula
C8H9N2O4P
SMILES
C1C(ON=C1C2=CC=CC=N2)P(=O)(O)O
InChI
InChI=1S/C8H9N2O4P/c11-15(12,13)8-5-7(10-14-8)6-3-1-2-4-9-6/h1-4,8H,5H2,(H2,11,12,13)
InChIKey
ZXYWWQJJDWKSFA-UHFFFAOYSA-N
Compound name
(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03728 146.0
[M+Na]+ 251.01922 156.2
[M+NH4]+ 246.06382 151.3
[M+K]+ 266.99316 155.6
[M-H]- 227.02272 146.4
[M+Na-2H]- 249.00467 150.6
[M]+ 228.02945 147.2
[M]- 228.03055 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.

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No patent data available for this compound.