CID 98160

2-bromoundecane

Structural Information

Molecular Formula

C₁₁H₂₃Br

SMILES

CCCCCCCCCC(C)Br

InChI

InChI=1S/C11H23Br/c1-3-4-5-6-7-8-9-10-11(2)12/h11H,3-10H2,1-2H3

InChIKey

HAMCEMQAQYUVRF-UHFFFAOYSA-N

Compound name

2-bromoundecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 234.09831 Da
Monoisotopic Mass: 6.0
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]+	235.10559	153.8
[M+Na]+	257.08753	162.4
[M-H]-	233.09103	156.1
[M+NH4]+	252.13213	175.5
[M+K]+	273.06147	151.5
[M+H-H2O]+	217.09557	153.9
[M+HCOO]-	279.09651	172.5
[M+CH3COO]-	293.11216	193.2
[M+Na-2H]-	255.07298	158.0
[M]+	234.09776	174.5
[M]-	234.09886	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.