CID 117259597

2-bromo-5-(4-chlorophenyl)-1,3-oxazole

Structural Information

Molecular Formula
C9H5BrClNO
SMILES
C1=CC(=CC=C1C2=CN=C(O2)Br)Cl
InChI
InChI=1S/C9H5BrClNO/c10-9-12-5-8(13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKey
RJXJFOULDXKGFA-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-chlorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9243 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.931576 144.3
[M+Na]+ 279.913518 159.0
[M-H]- 255.917024 153.5
[M+NH4]+ 274.958123 165.3
[M+K]+ 295.887458 147.6
[M+H-H2O]+ 239.921560 144.8
[M+HCOO]- 301.922501 162.2
[M+CH3COO]- 315.938151 160.7
[M+Na-2H]- 277.898966 152.3
[M]+ 256.92375142 166.2
[M]- 256.92484858 166.2
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.