CID 14973118

2-bromo-5-dodecylthiophene

Structural Information

Molecular Formula

C₁₆H₂₇BrS

SMILES

CCCCCCCCCCCCC1=CC=C(S1)Br

InChI

InChI=1S/C16H27BrS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h13-14H,2-12H2,1H3

InChIKey

MOSAVYMGWTYDNS-UHFFFAOYSA-N

Compound name

2-bromo-5-dodecylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 330.10168 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]+	331.10896	169.1
[M+Na]+	353.09090	170.3
[M+NH4]+	348.13550	174.2
[M+K]+	369.06484	167.4
[M-H]-	329.09440	169.9
[M+Na-2H]-	351.07635	169.9
[M]+	330.10113	168.7
[M]-	330.10223	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe