CID 46702

4-(4-chlorophenyl)-5-isoxazolamine

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC(=CC=C1C2=C(ON=C2)N)Cl
InChI
InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2
InChIKey
GWZGFUKSSKIWAP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

194.02469 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 138.4
[M+Na]+ 217.01391 149.0
[M-H]- 193.01741 144.6
[M+NH4]+ 212.05851 157.5
[M+K]+ 232.98785 145.4
[M+H-H2O]+ 177.02195 132.0
[M+HCOO]- 239.02289 158.9
[M+CH3COO]- 253.03854 152.7
[M+Na-2H]- 214.99936 144.6
[M]+ 194.02414 140.1
[M]- 194.02524 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

literature stripe

Patent stripe

patents stripe