CID 3588046

82366-97-0

Structural Information

Molecular Formula

C₁₆H₁₀Cl₂S

SMILES

C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H10Cl2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10H

InChIKey

OAMKIKJEEIPWSI-UHFFFAOYSA-N

Compound name

2,5-bis(4-chlorophenyl)thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 303.98804 Da
Monoisotopic Mass: 6.2
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]+	304.99532	166.3
[M+Na]+	326.97726	178.0
[M-H]-	302.98076	176.4
[M+NH4]+	322.02186	185.3
[M+K]+	342.95120	169.8
[M+H-H2O]+	286.98530	160.7
[M+HCOO]-	348.98624	177.5
[M+CH3COO]-	363.00189	179.2
[M+Na-2H]-	324.96271	166.4
[M]+	303.98749	171.3
[M]-	303.98859	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe