CID 42609477

7-bromo-1-benzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H5BrO2
SMILES
C1=CC2=C(C(=C1)Br)OC(=C2)C=O
InChI
InChI=1S/C9H5BrO2/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-5H
InChIKey
ULNDAYYMFZCYBA-UHFFFAOYSA-N
Compound name
7-bromo-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.9473 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95458 137.4
[M+Na]+ 246.93652 152.4
[M-H]- 222.94002 146.4
[M+NH4]+ 241.98112 161.4
[M+K]+ 262.91046 142.7
[M+H-H2O]+ 206.94456 138.8
[M+HCOO]- 268.94550 161.3
[M+CH3COO]- 282.96115 184.3
[M+Na-2H]- 244.92197 147.4
[M]+ 223.94675 160.2
[M]- 223.94785 160.2
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

patents stripe