CID 13000

1-bromotridecane

Structural Information

Molecular Formula

C₁₃H₂₇Br

SMILES

CCCCCCCCCCCCCBr

InChI

InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3

InChIKey

BFDNZQUBFCYTIC-UHFFFAOYSA-N

Compound name

1-bromotridecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 847
Patents: 262.1296 Da
Monoisotopic Mass: 7.6
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]+	263.13688	161.9
[M+Na]+	285.11882	170.0
[M-H]-	261.12232	163.7
[M+NH4]+	280.16342	182.6
[M+K]+	301.09276	158.2
[M+H-H2O]+	245.12686	161.6
[M+HCOO]-	307.12780	180.9
[M+CH3COO]-	321.14345	198.1
[M+Na-2H]-	283.10427	166.2
[M]+	262.12905	183.9
[M]-	262.13015	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.