CID 854043

4-bromo-2-(5-isoxazolyl)phenol

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC(=C(C=C1Br)C2=CC=NO2)O
InChI
InChI=1S/C9H6BrNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKey
CZXKAQGBZPKRHU-UHFFFAOYSA-N
Compound name
4-bromo-2-(1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

238.95819 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.965466 141.8
[M+Na]+ 261.947408 154.9
[M-H]- 237.950914 150.0
[M+NH4]+ 256.992013 161.9
[M+K]+ 277.921348 145.0
[M+H-H2O]+ 221.955450 141.8
[M+HCOO]- 283.956391 163.0
[M+CH3COO]- 297.972041 157.7
[M+Na-2H]- 259.932856 149.7
[M]+ 238.95764142 161.5
[M]- 238.95873858 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

literature stripe

Patent stripe

patents stripe