CID 12603095

1-bromo-4-nonylbenzene

Structural Information

Molecular Formula

C₁₅H₂₃Br

SMILES

CCCCCCCCCC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H23Br/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13H,2-9H2,1H3

InChIKey

LVCWOFRWEVUMNY-UHFFFAOYSA-N

Compound name

1-bromo-4-nonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 282.0983 Da
Monoisotopic Mass: 6.9
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]+	283.10558	161.4
[M+Na]+	305.08752	165.0
[M+NH4]+	300.13212	166.7
[M+K]+	321.06146	161.9
[M-H]-	281.09102	162.9
[M+Na-2H]-	303.07297	164.8
[M]+	282.09775	161.3
[M]-	282.09885	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe