CID 342378

Triphenylmethanesulfenyl chloride

Structural Information

Molecular Formula

C₁₉H₁₅ClS

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCl

InChI

InChI=1S/C19H15ClS/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChIKey

ZTQHJLXIUQQVST-UHFFFAOYSA-N

Compound name

trityl thiohypochlorite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 310.0583 Da
Monoisotopic Mass: 5.4
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]+	311.06558	170.0
[M+Na]+	333.04752	177.8
[M-H]-	309.05102	179.3
[M+NH4]+	328.09212	185.5
[M+K]+	349.02146	170.0
[M+H-H2O]+	293.05556	162.4
[M+HCOO]-	355.05650	183.1
[M+CH3COO]-	369.07215	181.3
[M+Na-2H]-	331.03297	175.1
[M]+	310.05775	172.2
[M]-	310.05885	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe