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 146.2
[M+Na]+ 250.97494 157.8
[M-H]- 226.97844 151.8
[M+NH4]+ 246.01954 164.5
[M+K]+ 266.94888 153.0
[M+H-H2O]+ 210.98298 140.3
[M+HCOO]- 272.98392 161.3
[M+CH3COO]- 286.99957 159.8
[M+Na-2H]- 248.96039 150.7
[M]+ 227.98517 149.2
[M]- 227.98627 149.2
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