CID 136232076

2,4-dibromo-6-(1,2-oxazol-5-yl)phenol

Structural Information

Molecular Formula
C9H5Br2NO2
SMILES
C1=C(ON=C1)C2=C(C(=CC(=C2)Br)Br)O
InChI
InChI=1S/C9H5Br2NO2/c10-5-3-6(8-1-2-12-14-8)9(13)7(11)4-5/h1-4,13H
InChIKey
XUMHJJXHJNIEFC-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.8687 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.87598 145.6
[M+Na]+ 339.85792 157.8
[M-H]- 315.86142 154.0
[M+NH4]+ 334.90252 163.3
[M+K]+ 355.83186 143.8
[M+H-H2O]+ 299.86596 153.8
[M+HCOO]- 361.86690 161.5
[M+CH3COO]- 375.88255 160.2
[M+Na-2H]- 337.84337 152.4
[M]+ 316.86815 180.8
[M]- 316.86925 180.8
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.