CID 66008652

5-amino-2-(3,4-dichlorophenyl)oxazole-4-carbonitrile

Structural Information

Molecular Formula
C10H5Cl2N3O
SMILES
C1=CC(=C(C=C1C2=NC(=C(O2)N)C#N)Cl)Cl
InChI
InChI=1S/C10H5Cl2N3O/c11-6-2-1-5(3-7(6)12)10-15-8(4-13)9(14)16-10/h1-3H,14H2
InChIKey
XAXPOCSHZLUOBP-UHFFFAOYSA-N
Compound name
5-amino-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98097 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98825 150.0
[M+Na]+ 275.97019 164.2
[M+NH4]+ 271.01479 155.1
[M+K]+ 291.94413 155.9
[M-H]- 251.97369 147.4
[M+Na-2H]- 273.95564 154.7
[M]+ 252.98042 151.0
[M]- 252.98152 151.0
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.