CID 131032772

4,6-dibromo-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C8H4Br2O2
SMILES
C1C(=O)C2=C(O1)C=C(C=C2Br)Br
InChI
InChI=1S/C8H4Br2O2/c9-4-1-5(10)8-6(11)3-12-7(8)2-4/h1-2H,3H2
InChIKey
URKUWIAMPMKDNI-UHFFFAOYSA-N
Compound name
4,6-dibromo-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.8578 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.86508 141.8
[M+Na]+ 312.84702 154.4
[M-H]- 288.85052 150.3
[M+NH4]+ 307.89162 162.8
[M+K]+ 328.82096 140.9
[M+H-H2O]+ 272.85506 151.0
[M+HCOO]- 334.85600 157.8
[M+CH3COO]- 348.87165 200.9
[M+Na-2H]- 310.83247 149.2
[M]+ 289.85725 176.9
[M]- 289.85835 176.9
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.