CID 71318650

88546-40-1

Structural Information

Molecular Formula

C₁₃H₁₀BrF

SMILES

C1=CC(=CC(=C1)C2=CC=C(C=C2)F)CBr

InChI

InChI=1S/C13H10BrF/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,9H2

InChIKey

SHODFIMNXVBIAV-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3-(4-fluorophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 263.995 Da
Monoisotopic Mass: 4.2
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	150.4
[M+Na]+	286.98422	162.3
[M-H]-	262.98772	158.6
[M+NH4]+	282.02882	170.9
[M+K]+	302.95816	150.1
[M+H-H2O]+	246.99226	149.4
[M+HCOO]-	308.99320	171.6
[M+CH3COO]-	323.00885	193.8
[M+Na-2H]-	284.96967	157.7
[M]+	263.99445	167.6
[M]-	263.99555	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe