CID 137175

Trityl isothiocyanate

Structural Information

Molecular Formula

C₂₀H₁₅NS

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=C=S

InChI

InChI=1S/C20H15NS/c22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H

InChIKey

ZPZHAUXTGFNYTN-UHFFFAOYSA-N

Compound name

[isothiocyanato(diphenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 105
Patents: 301.09253 Da
Monoisotopic Mass: 7.0
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]+	302.09981	171.0
[M+Na]+	324.08175	187.2
[M+NH4]+	319.12635	181.3
[M+K]+	340.05569	174.7
[M-H]-	300.08525	179.5
[M+Na-2H]-	322.06720	184.7
[M]+	301.09198	176.6
[M]-	301.09308	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe