CID 12394

1-bromopentadecane

Structural Information

Molecular Formula

C₁₅H₃₁Br

SMILES

CCCCCCCCCCCCCCCBr

InChI

InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3

InChIKey

JKOTZBXSNOGCIF-UHFFFAOYSA-N

Compound name

1-bromopentadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1100
Patents: 290.16092 Da
Monoisotopic Mass: 8.7
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]+	291.16820	171.0
[M+Na]+	313.15014	178.2
[M-H]-	289.15364	172.3
[M+NH4]+	308.19474	190.6
[M+K]+	329.12408	165.9
[M+H-H2O]+	273.15818	170.2
[M+HCOO]-	335.15912	189.3
[M+CH3COO]-	349.17477	203.7
[M+Na-2H]-	311.13559	174.2
[M]+	290.16037	193.7
[M]-	290.16147	193.7

Literature stripe

literature stripe

Patent stripe

patents stripe