CID 155920160

4'-bromo-2,3',4,6-tetrafluoro-1,1'-biphenyl

Structural Information

Molecular Formula
C12H5BrF4
SMILES
C1=CC(=C(C=C1C2=C(C=C(C=C2F)F)F)F)Br
InChI
InChI=1S/C12H5BrF4/c13-8-2-1-6(3-9(8)15)12-10(16)4-7(14)5-11(12)17/h1-5H
InChIKey
WSSOFUUHIDHTSM-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-fluorophenyl)-1,3,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.95108 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.95836 157.2
[M+Na]+ 326.94030 172.1
[M-H]- 302.94380 162.6
[M+NH4]+ 321.98490 176.6
[M+K]+ 342.91424 158.7
[M+H-H2O]+ 286.94834 153.7
[M+HCOO]- 348.94928 175.5
[M+CH3COO]- 362.96493 201.9
[M+Na-2H]- 324.92575 160.8
[M]+ 303.95053 171.6
[M]- 303.95163 171.6
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.