CID 65428419

5,7-dibromo-1-benzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H4Br2O2
SMILES
C1=C2C=C(OC2=C(C=C1Br)Br)C=O
InChI
InChI=1S/C9H4Br2O2/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-4H
InChIKey
JFVXVCJFPBOTLS-UHFFFAOYSA-N
Compound name
5,7-dibromo-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.8578 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.865076 142.4
[M+Na]+ 324.847018 156.2
[M-H]- 300.850524 151.4
[M+NH4]+ 319.891623 163.2
[M+K]+ 340.820958 142.4
[M+H-H2O]+ 284.855060 151.4
[M+HCOO]- 346.856001 160.4
[M+CH3COO]- 360.871651 202.7
[M+Na-2H]- 322.832466 150.8
[M]+ 301.85725142 179.9
[M]- 301.85834858 179.9
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.