CID 60112680

3-bromo-4-methylbiphenyl

Structural Information

Molecular Formula

C₁₃H₁₁Br

SMILES

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

InChI

InChI=1S/C13H11Br/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,1H3

InChIKey

BVTFEWBUBJTNHZ-UHFFFAOYSA-N

Compound name

2-bromo-1-methyl-4-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 246.00441 Da
Monoisotopic Mass: 4.6
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	143.8
[M+Na]+	268.99363	150.7
[M+NH4]+	264.03823	150.6
[M+K]+	284.96757	148.1
[M-H]-	244.99713	148.0
[M+Na-2H]-	266.97908	151.6
[M]+	246.00386	145.1
[M]-	246.00496	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe