CID 11379789

3,5-dibromo-2h-pyran-2-one

Structural Information

Molecular Formula
C5H2Br2O2
SMILES
C1=C(C(=O)OC=C1Br)Br
InChI
InChI=1S/C5H2Br2O2/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
MLXYPWZJEXLAIM-UHFFFAOYSA-N
Compound name
3,5-dibromopyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

4
Patents

251.84215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.84943 125.0
[M+Na]+ 274.83137 137.6
[M-H]- 250.83487 133.0
[M+NH4]+ 269.87597 144.9
[M+K]+ 290.80531 124.1
[M+H-H2O]+ 234.83941 133.7
[M+HCOO]- 296.84035 142.4
[M+CH3COO]- 310.85600 195.0
[M+Na-2H]- 272.81682 135.1
[M]+ 251.84160 160.5
[M]- 251.84270 160.5
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