CID 66200617

5-(2-chlorophenyl)-1,2-oxazol-3-amine

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC=C(C(=C1)C2=CC(=NO2)N)Cl
InChI
InChI=1S/C9H7ClN2O/c10-7-4-2-1-3-6(7)8-5-9(11)12-13-8/h1-5H,(H2,11,12)
InChIKey
IORWVKBRYQQUDC-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02469 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 138.4
[M+Na]+ 217.013908 149.0
[M-H]- 193.017414 144.6
[M+NH4]+ 212.058513 157.5
[M+K]+ 232.987848 145.4
[M+H-H2O]+ 177.021950 132.0
[M+HCOO]- 239.022891 158.9
[M+CH3COO]- 253.038541 152.7
[M+Na-2H]- 214.999356 144.6
[M]+ 194.02414142 140.1
[M]- 194.02523858 140.1
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.