CID 165942315

1-(4-bromo-3-fluorophenoxy)-3,5-difluorobenzene

Structural Information

Molecular Formula
C12H6BrF3O
SMILES
C1=CC(=C(C=C1OC2=CC(=CC(=C2)F)F)F)Br
InChI
InChI=1S/C12H6BrF3O/c13-11-2-1-9(6-12(11)16)17-10-4-7(14)3-8(15)5-10/h1-6H
InChIKey
RIPKKJPVWQCTIY-UHFFFAOYSA-N
Compound name
1-bromo-4-(3,5-difluorophenoxy)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.9554 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96268 156.6
[M+Na]+ 324.94462 170.5
[M-H]- 300.94812 162.9
[M+NH4]+ 319.98922 175.8
[M+K]+ 340.91856 158.0
[M+H-H2O]+ 284.95266 153.7
[M+HCOO]- 346.95360 176.1
[M+CH3COO]- 360.96925 200.1
[M+Na-2H]- 322.93007 161.5
[M]+ 301.95485 173.2
[M]- 301.95595 173.2
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

No patent data available for this compound.