CID 58028447

4-bromo-3-fluoro-4'-methyl-1,1'-biphenyl

Structural Information

Molecular Formula

C₁₃H₁₀BrF

SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2)Br)F

InChI

InChI=1S/C13H10BrF/c1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11/h2-8H,1H3

InChIKey

FFTYZNQIIAKEPT-UHFFFAOYSA-N

Compound name

1-bromo-2-fluoro-4-(4-methylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 263.995 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.00228	149.8
[M+Na]+	286.98422	162.6
[M-H]-	262.98772	158.4
[M+NH4]+	282.02882	170.6
[M+K]+	302.95816	150.4
[M+H-H2O]+	246.99226	148.9
[M+HCOO]-	308.99320	171.0
[M+CH3COO]-	323.00885	194.8
[M+Na-2H]-	284.96967	156.5
[M]+	263.99445	167.4
[M]-	263.99555	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe