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]+ 302.86508 142.4
[M+Na]+ 324.84702 156.2
[M-H]- 300.85052 151.4
[M+NH4]+ 319.89162 163.2
[M+K]+ 340.82096 142.4
[M+H-H2O]+ 284.85506 151.4
[M+HCOO]- 346.85600 160.4
[M+CH3COO]- 360.87165 202.7
[M+Na-2H]- 322.83247 150.8
[M]+ 301.85725 179.9
[M]- 301.85835 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.