CID 840517

39868-10-5

Structural Information

Molecular Formula
C11H7BrO2
SMILES
C1=CC(=CC(=C1)Br)C2=CC=C(O2)C=O
InChI
InChI=1S/C11H7BrO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
InChIKey
NUOIWDFBKGEKJD-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.96294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.970216 146.3
[M+Na]+ 272.952158 159.4
[M-H]- 248.955664 156.9
[M+NH4]+ 267.996763 167.9
[M+K]+ 288.926098 149.5
[M+H-H2O]+ 232.960200 146.8
[M+HCOO]- 294.961141 169.7
[M+CH3COO]- 308.976791 188.5
[M+Na-2H]- 270.937606 153.7
[M]+ 249.96239142 167.2
[M]- 249.96348858 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

No literature data available for this compound.

Patent stripe

patents stripe