CID 377656

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

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
C1=CC(=C(C=C1NC2=NC=CO2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O/c10-7-2-1-6(5-8(7)11)13-9-12-3-4-14-9/h1-5H,(H,12,13)
InChIKey
ANNHWFYCOCQWBQ-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98572 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99300 145.6
[M+Na]+ 250.97494 156.3
[M-H]- 226.97844 151.2
[M+NH4]+ 246.01954 163.8
[M+K]+ 266.94888 151.7
[M+H-H2O]+ 210.98298 139.3
[M+HCOO]- 272.98392 161.2
[M+CH3COO]- 286.99957 159.1
[M+Na-2H]- 248.96039 151.7
[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

No patent data available for this compound.