CID 3079428

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

Structural Information

Molecular Formula
C9H9ClNO4P
SMILES
C1C(ON=C1C2=CC=C(C=C2)Cl)P(=O)(O)O
InChI
InChI=1S/C9H9ClNO4P/c10-7-3-1-6(2-4-7)8-5-9(15-11-8)16(12,13)14/h1-4,9H,5H2,(H2,12,13,14)
InChIKey
HEAIQAFJRPZXLW-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.99576 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00304 152.7
[M+Na]+ 283.98498 161.6
[M-H]- 259.98848 155.6
[M+NH4]+ 279.02958 168.5
[M+K]+ 299.95892 158.7
[M+H-H2O]+ 243.99302 144.9
[M+HCOO]- 305.99396 172.6
[M+CH3COO]- 320.00961 185.8
[M+Na-2H]- 281.97043 155.2
[M]+ 260.99521 154.9
[M]- 260.99631 154.9
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.