CID 12875

4,4'-dithiodianiline

Structural Information

Molecular Formula

C₁₂H₁₂N₂S₂

SMILES

C1=CC(=CC=C1N)SSC2=CC=C(C=C2)N

InChI

InChI=1S/C12H12N2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2

InChIKey

MERLDGDYUMSLAY-UHFFFAOYSA-N

Compound name

4-[(4-aminophenyl)disulfanyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 3242
Patents: 248.04419 Da
Monoisotopic Mass: 3.0
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]+	249.05147	148.1
[M+Na]+	271.03341	160.6
[M+NH4]+	266.07801	158.2
[M+K]+	287.00735	149.5
[M-H]-	247.03691	154.7
[M+Na-2H]-	269.01886	156.9
[M]+	248.04364	152.8
[M]-	248.04474	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe