CID 3004214

Nsc636347

Structural Information

Molecular Formula
C12H9Cl2NO3
SMILES
CCO/C=C\1/C(=O)OC(=N1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H9Cl2NO3/c1-2-17-6-10-12(16)18-11(15-10)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3/b10-6-
InChIKey
CCCAUVRNKDDVJZ-POHAHGRESA-N
Compound name
(4Z)-2-(3,4-dichlorophenyl)-4-(ethoxymethylidene)-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.99594 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00322 159.4
[M+Na]+ 307.98516 171.0
[M-H]- 283.98866 165.4
[M+NH4]+ 303.02976 176.1
[M+K]+ 323.95910 166.1
[M+H-H2O]+ 267.99320 153.6
[M+HCOO]- 329.99414 172.6
[M+CH3COO]- 344.00979 195.6
[M+Na-2H]- 305.97061 161.5
[M]+ 284.99539 165.5
[M]- 284.99649 165.5
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.