CID 8213

1-bromohexadecane

Structural Information

Molecular Formula

C₁₆H₃₃Br

SMILES

CCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

HNTGIJLWHDPAFN-UHFFFAOYSA-N

Compound name

1-bromohexadecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 21
References: 6847
Patents: 304.17657 Da
Monoisotopic Mass: 9.2
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]+	305.18385	175.5
[M+Na]+	327.16579	182.3
[M-H]-	303.16929	176.6
[M+NH4]+	322.21039	194.5
[M+K]+	343.13973	169.7
[M+H-H2O]+	287.17383	174.5
[M+HCOO]-	349.17477	193.5
[M+CH3COO]-	363.19042	206.5
[M+Na-2H]-	325.15124	178.1
[M]+	304.17602	198.5
[M]-	304.17712	198.5

Literature stripe

literature stripe

Patent stripe

patents stripe