CID 3079438

(3-(4-methoxyphenyl)-2-isoxazolin-5-yl)phosphonic acid

Structural Information

Molecular Formula
C10H12NO5P
SMILES
COC1=CC=C(C=C1)C2=NOC(C2)P(=O)(O)O
InChI
InChI=1S/C10H12NO5P/c1-15-8-4-2-7(3-5-8)9-6-10(16-11-9)17(12,13)14/h2-5,10H,6H2,1H3,(H2,12,13,14)
InChIKey
OUNDRSNLASLHBW-UHFFFAOYSA-N
Compound name
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

257.04532 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05260 154.4
[M+Na]+ 280.03454 161.8
[M-H]- 256.03804 157.1
[M+NH4]+ 275.07914 169.3
[M+K]+ 296.00848 161.3
[M+H-H2O]+ 240.04258 145.7
[M+HCOO]- 302.04352 178.8
[M+CH3COO]- 316.05917 187.3
[M+Na-2H]- 278.01999 157.0
[M]+ 257.04477 156.4
[M]- 257.04587 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe