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 157.6
[M+Na]+ 288.03979 166.4
[M-H]- 264.04329 163.6
[M+NH4]+ 283.08439 174.1
[M+K]+ 304.01373 163.0
[M+H-H2O]+ 248.04783 150.8
[M+HCOO]- 310.04877 174.8
[M+CH3COO]- 324.06442 192.6
[M+Na-2H]- 286.02524 160.3
[M]+ 265.05002 161.7
[M]- 265.05112 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.