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]+ 266.05785 156.7
[M+Na]+ 288.03979 170.0
[M+NH4]+ 283.08439 164.1
[M+K]+ 304.01373 165.3
[M-H]- 264.04329 160.1
[M+Na-2H]- 286.02524 162.7
[M]+ 265.05002 159.7
[M]- 265.05112 159.7
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.