CID 2757013

16-bromo-1-hexadecanol

Structural Information

Molecular Formula

C₁₆H₃₃BrO

SMILES

C(CCCCCCCCBr)CCCCCCCO

InChI

InChI=1S/C16H33BrO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h18H,1-16H2

InChIKey

GOSQZSJMSMTIFI-UHFFFAOYSA-N

Compound name

16-bromohexadecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 194
Patents: 320.17148 Da
Monoisotopic Mass: 7.2
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]+	321.17876	178.9
[M+Na]+	343.16070	185.1
[M-H]-	319.16420	178.6
[M+NH4]+	338.20530	196.5
[M+K]+	359.13464	172.0
[M+H-H2O]+	303.16874	177.7
[M+HCOO]-	365.16968	195.6
[M+CH3COO]-	379.18533	205.6
[M+Na-2H]-	341.14615	181.0
[M]+	320.17093	201.4
[M]-	320.17203	201.4

Literature stripe

literature stripe

Patent stripe

patents stripe