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 155.5
[M+Na]+ 275.97019 169.4
[M-H]- 251.97369 159.7
[M+NH4]+ 271.01479 170.9
[M+K]+ 291.94413 163.0
[M+H-H2O]+ 235.97823 142.8
[M+HCOO]- 297.97917 167.2
[M+CH3COO]- 311.99482 166.9
[M+Na-2H]- 273.95564 158.1
[M]+ 252.98042 153.6
[M]- 252.98152 153.6
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.