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 147.3
[M+Na]+ 251.01922 154.7
[M-H]- 227.02272 148.5
[M+NH4]+ 246.06382 161.8
[M+K]+ 266.99316 153.9
[M+H-H2O]+ 211.02726 137.9
[M+HCOO]- 273.02820 170.7
[M+CH3COO]- 287.04385 180.6
[M+Na-2H]- 249.00467 151.0
[M]+ 228.02945 147.1
[M]- 228.03055 147.1
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

No patent data available for this compound.