CID 90487852

3-(4-bromophenyl)furan

Structural Information

Molecular Formula
C10H7BrO
SMILES
C1=CC(=CC=C1C2=COC=C2)Br
InChI
InChI=1S/C10H7BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H
InChIKey
SDKJDQLEFMMXET-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

221.96803 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97531 140.5
[M+Na]+ 244.95725 153.0
[M-H]- 220.96075 150.9
[M+NH4]+ 240.00185 163.0
[M+K]+ 260.93119 143.5
[M+H-H2O]+ 204.96529 141.2
[M+HCOO]- 266.96623 163.9
[M+CH3COO]- 280.98188 157.1
[M+Na-2H]- 242.94270 149.1
[M]+ 221.96748 160.1
[M]- 221.96858 160.1
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