CID 16218187

5-(4-bromophenyl)isoxazol-3-amine

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC(=CC=C1C2=CC(=NO2)N)Br
InChI
InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-9(11)12-13-8/h1-5H,(H2,11,12)
InChIKey
YINDFUSXBDZGIH-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

237.97418 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 143.1
[M+Na]+ 260.96340 155.8
[M-H]- 236.96690 151.9
[M+NH4]+ 256.00800 163.3
[M+K]+ 276.93734 145.5
[M+H-H2O]+ 220.97144 142.2
[M+HCOO]- 282.97238 165.8
[M+CH3COO]- 296.98803 158.9
[M+Na-2H]- 258.94885 150.8
[M]+ 237.97363 161.5
[M]- 237.97473 161.5
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