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]+ 224.954576 137.4
[M+Na]+ 246.936518 152.4
[M-H]- 222.940024 146.4
[M+NH4]+ 241.981123 161.4
[M+K]+ 262.910458 142.7
[M+H-H2O]+ 206.944560 138.8
[M+HCOO]- 268.945501 161.3
[M+CH3COO]- 282.961151 184.3
[M+Na-2H]- 244.921966 147.4
[M]+ 223.94675142 160.2
[M]- 223.94784858 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