CID 3079435

(3-phenyl-5-isoxazolyl)phosphonic acid

Structural Information

Molecular Formula
C9H8NO4P
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)P(=O)(O)O
InChI
InChI=1S/C9H8NO4P/c11-15(12,13)9-6-8(10-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13)
InChIKey
BGAJWGPVHJKOLJ-UHFFFAOYSA-N
Compound name
(3-phenyl-1,2-oxazol-5-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.01909 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02637 146.4
[M+Na]+ 248.00831 154.6
[M-H]- 224.01181 149.3
[M+NH4]+ 243.05291 162.5
[M+K]+ 263.98225 153.3
[M+H-H2O]+ 208.01635 137.8
[M+HCOO]- 270.01729 172.3
[M+CH3COO]- 284.03294 180.4
[M+Na-2H]- 245.99376 150.7
[M]+ 225.01854 147.6
[M]- 225.01964 147.6
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