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

10
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

No literature data available for this compound.

Patent stripe

patents stripe