CID 8218

1-bromooctadecane

Structural Information

Molecular Formula

C₁₈H₃₇Br

SMILES

CCCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

InChIKey

WSULSMOGMLRGKU-UHFFFAOYSA-N

Compound name

1-bromooctadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5509
Patents: 332.20786 Da
Monoisotopic Mass: 10.3
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]+	333.21514	183.8
[M+Na]+	355.19708	183.9
[M+NH4]+	350.24168	187.4
[M+K]+	371.17102	180.1
[M-H]-	331.20058	182.6
[M+Na-2H]-	353.18253	182.5
[M]+	332.20731	182.2
[M]-	332.20841	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe