CID 2778689

3-bromo-4'-fluorodiphenyl ether

Structural Information

Molecular Formula
C12H8BrFO
SMILES
C1=CC(=CC(=C1)Br)OC2=CC=C(C=C2)F
InChI
InChI=1S/C12H8BrFO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H
InChIKey
ADGMRCLDJLCOKF-UHFFFAOYSA-N
Compound name
1-bromo-3-(4-fluorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

265.97427 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98155 149.0
[M+Na]+ 288.96349 161.1
[M-H]- 264.96699 157.3
[M+NH4]+ 284.00809 169.2
[M+K]+ 304.93743 149.6
[M+H-H2O]+ 248.97153 147.8
[M+HCOO]- 310.97247 170.6
[M+CH3COO]- 324.98812 192.8
[M+Na-2H]- 286.94894 156.7
[M]+ 265.97372 167.1
[M]- 265.97482 167.1
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