CID 95186

Sulfide, nitroso trityl

Structural Information

Molecular Formula

C₁₉H₁₅NOS

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN=O

InChI

InChI=1S/C19H15NOS/c21-20-22-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChIKey

YLEVRGODADSYBK-UHFFFAOYSA-N

Compound name

[nitrososulfanyl(diphenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 25
Patents: 305.08743 Da
Monoisotopic Mass: 4.8
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]+	306.09471	170.3
[M+Na]+	328.07665	186.2
[M+NH4]+	323.12125	180.5
[M+K]+	344.05059	174.5
[M-H]-	304.08015	178.7
[M+Na-2H]-	326.06210	184.0
[M]+	305.08688	175.9
[M]-	305.08798	175.9

Literature stripe

literature stripe

Patent stripe

patents stripe