CID 3864405

3-(bromomethyl)biphenyl

Structural Information

Molecular Formula

C₁₃H₁₁Br

SMILES

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

InChI

InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2

InChIKey

RTFPTPXBTIUISM-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 701
Patents: 246.00441 Da
Monoisotopic Mass: 4.1
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]+	247.01169	144.4
[M+Na]+	268.99363	151.0
[M+NH4]+	264.03823	151.3
[M+K]+	284.96757	148.3
[M-H]-	244.99713	148.6
[M+Na-2H]-	266.97908	152.4
[M]+	246.00386	145.7
[M]-	246.00496	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe