CID 11474236

2-bromo-3-hexyl-5-iodothiophene

Structural Information

Molecular Formula

C₁₀H₁₄BrIS

SMILES

CCCCCCC1=C(SC(=C1)I)Br

InChI

InChI=1S/C10H14BrIS/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7H,2-6H2,1H3

InChIKey

SDMKEQYHISDGKT-UHFFFAOYSA-N

Compound name

2-bromo-3-hexyl-5-iodothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 109
Patents: 371.90442 Da
Monoisotopic Mass: 6.3
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]+	372.91170	156.9
[M+Na]+	394.89364	162.8
[M-H]-	370.89714	157.0
[M+NH4]+	389.93824	175.4
[M+K]+	410.86758	156.6
[M+H-H2O]+	354.90168	153.8
[M+HCOO]-	416.90262	169.7
[M+CH3COO]-	430.91827	200.8
[M+Na-2H]-	392.87909	147.7
[M]+	371.90387	175.6
[M]-	371.90497	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe