CID 155920161

4'-bromo-3',4-difluoro-2,6-dimethyl-1,1'-biphenyl

Structural Information

Molecular Formula
C14H11BrF2
SMILES
CC1=CC(=CC(=C1C2=CC(=C(C=C2)Br)F)C)F
InChI
InChI=1S/C14H11BrF2/c1-8-5-11(16)6-9(2)14(8)10-3-4-12(15)13(17)7-10/h3-7H,1-2H3
InChIKey
FHEBBWVDQIZJOI-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-fluorophenyl)-5-fluoro-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.00122 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00850 157.7
[M+Na]+ 318.99044 171.7
[M-H]- 294.99394 165.4
[M+NH4]+ 314.03504 177.7
[M+K]+ 334.96438 158.8
[M+H-H2O]+ 278.99848 155.8
[M+HCOO]- 340.99942 177.4
[M+CH3COO]- 355.01507 202.3
[M+Na-2H]- 316.97589 161.7
[M]+ 296.00067 175.1
[M]- 296.00177 175.1
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.