CID 3079452

3-(2-hydroxyphenyl)-2-isoxazolin-5-ylphosphonic acid

Structural Information

Molecular Formula
C9H10NO5P
SMILES
C1C(ON=C1C2=CC=CC=C2O)P(=O)(O)O
InChI
InChI=1S/C9H10NO5P/c11-8-4-2-1-3-6(8)7-5-9(15-10-7)16(12,13)14/h1-4,9,11H,5H2,(H2,12,13,14)
InChIKey
VSMWPMDMCUQNBK-UHFFFAOYSA-N
Compound name
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.02966 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03694 150.7
[M+Na]+ 266.01888 158.1
[M-H]- 242.02238 152.2
[M+NH4]+ 261.06348 165.5
[M+K]+ 281.99282 156.8
[M+H-H2O]+ 226.02692 142.4
[M+HCOO]- 288.02786 173.8
[M+CH3COO]- 302.04351 181.9
[M+Na-2H]- 264.00433 153.3
[M]+ 243.02911 150.5
[M]- 243.03021 150.5
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