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

2
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]+	235.105586	153.8
[M+Na]+	257.087528	162.4
[M-H]-	233.091034	156.1
[M+NH4]+	252.132133	175.5
[M+K]+	273.061468	151.5
[M+H-H2O]+	217.095570	153.9
[M+HCOO]-	279.096511	172.5
[M+CH3COO]-	293.112161	193.2
[M+Na-2H]-	255.072976	158.0
[M]+	234.09776142	174.5
[M]-	234.09885858	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe