CID 3079429

(3-(4-chlorophenyl)-2-isoxazolin-5-ylmethyl)phosphonic acid

Structural Information

Molecular Formula
C10H11ClNO4P
SMILES
C1C(ON=C1C2=CC=C(C=C2)Cl)CP(=O)(O)O
InChI
InChI=1S/C10H11ClNO4P/c11-8-3-1-7(2-4-8)10-5-9(16-12-10)6-17(13,14)15/h1-4,9H,5-6H2,(H2,13,14,15)
InChIKey
ABTAVQXRNMOAIM-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.0114 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01868 157.5
[M+Na]+ 298.00062 166.0
[M-H]- 274.00412 160.2
[M+NH4]+ 293.04522 172.7
[M+K]+ 313.97456 162.9
[M+H-H2O]+ 258.00866 149.5
[M+HCOO]- 320.00960 177.0
[M+CH3COO]- 334.02525 188.8
[M+Na-2H]- 295.98607 159.4
[M]+ 275.01085 160.1
[M]- 275.01195 160.1
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

patents stripe