CID 208503

4-chloro-5-methyl-3-isoxazolyl diethyl phosphate

Structural Information

Molecular Formula
C8H13ClNO5P
SMILES
CCOP(=O)(OCC)OC1=NOC(=C1Cl)C
InChI
InChI=1S/C8H13ClNO5P/c1-4-12-16(11,13-5-2)15-8-7(9)6(3)14-10-8/h4-5H2,1-3H3
InChIKey
BTEYJUVXDUKKHW-UHFFFAOYSA-N
Compound name
(4-chloro-5-methyl-1,2-oxazol-3-yl) diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02197 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.02925 154.0
[M+Na]+ 292.01119 163.8
[M-H]- 268.01469 156.4
[M+NH4]+ 287.05579 171.4
[M+K]+ 307.98513 163.7
[M+H-H2O]+ 252.01923 146.6
[M+HCOO]- 314.02017 177.5
[M+CH3COO]- 328.03582 193.9
[M+Na-2H]- 289.99664 157.3
[M]+ 269.02142 165.0
[M]- 269.02252 165.0
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.