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]+ 302.962676 156.6
[M+Na]+ 324.944618 170.5
[M-H]- 300.948124 162.9
[M+NH4]+ 319.989223 175.8
[M+K]+ 340.918558 158.0
[M+H-H2O]+ 284.952660 153.7
[M+HCOO]- 346.953601 176.1
[M+CH3COO]- 360.969251 200.1
[M+Na-2H]- 322.930066 161.5
[M]+ 301.95485142 173.2
[M]- 301.95594858 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.