CID 12337272

3-bromo-1-benzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H5BrO2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C=O)Br
InChI
InChI=1S/C9H5BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H
InChIKey
XJHLNJBEPAUFOD-UHFFFAOYSA-N
Compound name
3-bromo-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

literature stripe

Patent stripe

patents stripe