CID 208507

32306-34-6

Structural Information

Molecular Formula
C11H11ClNO5P
SMILES
COP(=O)(OC)OC1=NOC(=C1Cl)C2=CC=CC=C2
InChI
InChI=1S/C11H11ClNO5P/c1-15-19(14,16-2)18-11-9(12)10(17-13-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
LKDDHEDTVCDLTG-UHFFFAOYSA-N
Compound name
(4-chloro-5-phenyl-1,2-oxazol-3-yl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.00635 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01363 161.4
[M+Na]+ 325.99557 171.2
[M-H]- 301.99907 167.2
[M+NH4]+ 321.04017 177.0
[M+K]+ 341.96951 170.2
[M+H-H2O]+ 286.00361 152.6
[M+HCOO]- 348.00455 185.3
[M+CH3COO]- 362.02020 198.5
[M+Na-2H]- 323.98102 165.0
[M]+ 303.00580 171.0
[M]- 303.00690 171.0
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.