CID 208504

32306-30-2

Structural Information

Molecular Formula
C13H15ClNO5P
SMILES
CCOP(=O)(OCC)OC1=NOC(=C1Cl)C2=CC=CC=C2
InChI
InChI=1S/C13H15ClNO5P/c1-3-17-21(16,18-4-2)20-13-11(14)12(19-15-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
BBCWAAAUDNPDNG-UHFFFAOYSA-N
Compound name
(4-chloro-5-phenyl-1,2-oxazol-3-yl) diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.03763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04491 171.2
[M+Na]+ 354.02685 180.1
[M-H]- 330.03035 176.6
[M+NH4]+ 349.07145 185.6
[M+K]+ 370.00079 178.6
[M+H-H2O]+ 314.03489 161.9
[M+HCOO]- 376.03583 194.4
[M+CH3COO]- 390.05148 204.4
[M+Na-2H]- 352.01230 173.7
[M]+ 331.03708 181.4
[M]- 331.03818 181.4
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.