CID 170913422

4-bromo-5-iodo-1,3-oxazole

Structural Information

Molecular Formula
C3HBrINO
SMILES
C1=NC(=C(O1)I)Br
InChI
InChI=1S/C3HBrINO/c4-2-3(5)7-1-6-2/h1H
InChIKey
HVXKYNTYBDNRBM-UHFFFAOYSA-N
Compound name
4-bromo-5-iodo-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.8286 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.83588 130.3
[M+Na]+ 295.81782 137.3
[M-H]- 271.82132 129.9
[M+NH4]+ 290.86242 149.0
[M+K]+ 311.79176 134.8
[M+H-H2O]+ 255.82586 127.3
[M+HCOO]- 317.82680 148.0
[M+CH3COO]- 331.84245 181.9
[M+Na-2H]- 293.80327 128.5
[M]+ 272.82805 146.7
[M]- 272.82915 146.7
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.