CID 236603

Bromodiphenylmethane

Structural Information

Molecular Formula

C₁₃H₁₁Br

SMILES

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

InChI

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

InChIKey

OQROAIRCEOBYJA-UHFFFAOYSA-N

Compound name

[bromo(phenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 4515
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	147.8
[M+Na]+	268.99363	157.6
[M-H]-	244.99713	156.6
[M+NH4]+	264.03823	168.3
[M+K]+	284.96757	146.2
[M+H-H2O]+	229.00167	147.6
[M+HCOO]-	291.00261	169.0
[M+CH3COO]-	305.01826	162.5
[M+Na-2H]-	266.97908	156.0
[M]+	246.00386	164.7
[M]-	246.00496	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe