CID 619577

5-(4-bromophenyl)-2-furaldehyde

Structural Information

Molecular Formula
C11H7BrO2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C=O)Br
InChI
InChI=1S/C11H7BrO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey
QRTAOOSYSVHQGT-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

111
Patents

249.96294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97022 146.3
[M+Na]+ 272.95216 159.4
[M-H]- 248.95566 156.9
[M+NH4]+ 267.99676 167.9
[M+K]+ 288.92610 149.5
[M+H-H2O]+ 232.96020 146.8
[M+HCOO]- 294.96114 169.7
[M+CH3COO]- 308.97679 188.5
[M+Na-2H]- 270.93761 153.7
[M]+ 249.96239 167.2
[M]- 249.96349 167.2
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