CID 14358

1141-88-4

Structural Information

Molecular Formula

C₁₂H₁₂N₂S₂

SMILES

C1=CC=C(C(=C1)N)SSC2=CC=CC=C2N

InChI

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

InChIKey

YYYOQURZQWIILK-UHFFFAOYSA-N

Compound name

2-[(2-aminophenyl)disulfanyl]aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 2612
Patents: 248.04419 Da
Monoisotopic Mass: 3.1
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