CID 2735602

1-bromo-10-phenyldecane

Structural Information

Molecular Formula

C₁₆H₂₅Br

SMILES

C1=CC=C(C=C1)CCCCCCCCCCBr

InChI

InChI=1S/C16H25Br/c17-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2

InChIKey

DTPVJMBHPQHEHV-UHFFFAOYSA-N

Compound name

10-bromodecylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 296.11395 Da
Monoisotopic Mass: 7.5
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]+	297.12123	167.7
[M+Na]+	319.10317	175.5
[M-H]-	295.10667	172.4
[M+NH4]+	314.14777	186.8
[M+K]+	335.07711	162.9
[M+H-H2O]+	279.11121	166.7
[M+HCOO]-	341.11215	187.4
[M+CH3COO]-	355.12780	201.9
[M+Na-2H]-	317.08862	172.9
[M]+	296.11340	188.5
[M]-	296.11450	188.5

Literature stripe

literature stripe

Patent stripe

patents stripe