CID 3824249

3-(2,4-dichlorophenyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NOC(=C2)N
InChI
InChI=1S/C9H6Cl2N2O/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,12H2
InChIKey
AMDYYTRPAZZNES-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

227.98572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99300 144.1
[M+Na]+ 250.97494 159.5
[M+NH4]+ 246.01954 153.3
[M+K]+ 266.94888 153.9
[M-H]- 226.97844 149.3
[M+Na-2H]- 248.96039 152.2
[M]+ 227.98517 148.4
[M]- 227.98627 148.4
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

patents stripe