CID 10916176

2-bromo-4-hexylthiophene

Structural Information

Molecular Formula

C₁₀H₁₅BrS

SMILES

CCCCCCC1=CSC(=C1)Br

InChI

InChI=1S/C10H15BrS/c1-2-3-4-5-6-9-7-10(11)12-8-9/h7-8H,2-6H2,1H3

InChIKey

IKXKKFNSZQNRFR-UHFFFAOYSA-N

Compound name

2-bromo-4-hexylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 151
Patents: 246.00778 Da
Monoisotopic Mass: 5.6
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]+	247.01506	143.8
[M+Na]+	268.99700	156.2
[M-H]-	245.00050	150.5
[M+NH4]+	264.04160	167.8
[M+K]+	284.97094	144.3
[M+H-H2O]+	229.00504	144.5
[M+HCOO]-	291.00598	161.5
[M+CH3COO]-	305.02163	189.7
[M+Na-2H]-	266.98245	146.9
[M]+	246.00723	165.9
[M]-	246.00833	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe