CID 2756977

3-bromo-4'-fluorobiphenyl

Structural Information

Molecular Formula
C12H8BrF
SMILES
C1=CC(=CC(=C1)Br)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H8BrF/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H
InChIKey
QATHBEJSFHQDCO-UHFFFAOYSA-N
Compound name
1-bromo-3-(4-fluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

249.97934 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98662 145.7
[M+Na]+ 272.96856 158.0
[M-H]- 248.97206 154.1
[M+NH4]+ 268.01316 166.7
[M+K]+ 288.94250 146.0
[M+H-H2O]+ 232.97660 144.9
[M+HCOO]- 294.97754 167.2
[M+CH3COO]- 308.99319 161.1
[M+Na-2H]- 270.95401 153.6
[M]+ 249.97879 162.6
[M]- 249.97989 162.6
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

patents stripe