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]+ 228.992996 145.6
[M+Na]+ 250.974938 156.3
[M-H]- 226.978444 151.2
[M+NH4]+ 246.019543 163.8
[M+K]+ 266.948878 151.7
[M+H-H2O]+ 210.982980 139.3
[M+HCOO]- 272.983921 161.2
[M+CH3COO]- 286.999571 159.1
[M+Na-2H]- 248.960386 151.7
[M]+ 227.98517142 149.2
[M]- 227.98626858 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.