CID 11065602

201611-77-0

Structural Information

Molecular Formula

C₁₆H₁₆S₂

SMILES

CC(C)(C1=CC=CC=C1)SC(=S)C2=CC=CC=C2

InChI

InChI=1S/C16H16S2/c1-16(2,14-11-7-4-8-12-14)18-15(17)13-9-5-3-6-10-13/h3-12H,1-2H3

InChIKey

KOBJYYDWSKDEGY-UHFFFAOYSA-N

Compound name

2-phenylpropan-2-yl benzenecarbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1895
Patents: 272.06934 Da
Monoisotopic Mass: 5.0
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]+	273.07662	160.3
[M+Na]+	295.05856	173.9
[M+NH4]+	290.10316	170.6
[M+K]+	311.03250	162.0
[M-H]-	271.06206	165.6
[M+Na-2H]-	293.04401	169.4
[M]+	272.06879	165.1
[M]-	272.06989	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe