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]+ 257.93158 144.3
[M+Na]+ 279.91352 159.0
[M-H]- 255.91702 153.5
[M+NH4]+ 274.95812 165.3
[M+K]+ 295.88746 147.6
[M+H-H2O]+ 239.92156 144.8
[M+HCOO]- 301.92250 162.2
[M+CH3COO]- 315.93815 160.7
[M+Na-2H]- 277.89897 152.3
[M]+ 256.92375 166.2
[M]- 256.92485 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.