CID 21149558

68156-03-6

Structural Information

Molecular Formula

C₁₈H₁₃Cl₂S

SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2Cl)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H13Cl2S/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20/h1-13H/q+1

InChIKey

RHIQULSILJCKIF-UHFFFAOYSA-N

Compound name

bis(2-chlorophenyl)-phenylsulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 331.0115 Da
Monoisotopic Mass: 6.8
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]+	332.01878	170.8
[M+Na]+	354.00072	191.9
[M+NH4]+	349.04532	183.5
[M+K]+	369.97466	178.9
[M-H]-	330.00422	181.1
[M+Na-2H]-	351.98617	184.8
[M]+	331.01095	178.7
[M]-	331.01205	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe