CID 6031348

2-(chloro(phenyl)methyl)-4-(ethoxymethylene)oxazol-5(4h)-one

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CCO/C=C/1\C(=O)OC(=N1)C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C13H12ClNO3/c1-2-17-8-10-13(16)18-12(15-10)11(14)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3/b10-8+
InChIKey
UCDJNAAUMIQNQM-CSKARUKUSA-N
Compound name
(4E)-2-[chloro(phenyl)methyl]-4-(ethoxymethylidene)-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05057 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.057846 157.6
[M+Na]+ 288.039788 166.4
[M-H]- 264.043294 163.6
[M+NH4]+ 283.084393 174.1
[M+K]+ 304.013728 163.0
[M+H-H2O]+ 248.047830 150.8
[M+HCOO]- 310.048771 174.8
[M+CH3COO]- 324.064421 192.6
[M+Na-2H]- 286.025236 160.3
[M]+ 265.05002142 161.7
[M]- 265.05111858 161.7
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.