CID 84690891

2,4-dibromo-1,3-oxazole

Structural Information

Molecular Formula
C3HBr2NO
SMILES
C1=C(N=C(O1)Br)Br
InChI
InChI=1S/C3HBr2NO/c4-2-1-7-3(5)6-2/h1H
InChIKey
HHJMCPWKOXDTLL-UHFFFAOYSA-N
Compound name
2,4-dibromo-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

224.84248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.84976 123.6
[M+Na]+ 247.83170 136.6
[M-H]- 223.83520 130.5
[M+NH4]+ 242.87630 144.8
[M+K]+ 263.80564 123.6
[M+H-H2O]+ 207.83974 132.3
[M+HCOO]- 269.84068 141.1
[M+CH3COO]- 283.85633 190.7
[M+Na-2H]- 245.81715 133.2
[M]+ 224.84193 158.6
[M]- 224.84303 158.6
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