CID 4598355

75464-52-7

Structural Information

Molecular Formula

C₆H₈N₂S₂

SMILES

C1=C(C(=CC(=C1S)N)S)N

InChI

InChI=1S/C6H8N2S2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H,7-8H2

InChIKey

AHUNLCWALDZRQE-UHFFFAOYSA-N

Compound name

2,5-diaminobenzene-1,4-dithiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 894
Patents: 172.0129 Da
Monoisotopic Mass: 0.9
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]+	173.02018	130.9
[M+Na]+	195.00212	141.8
[M+NH4]+	190.04672	140.6
[M+K]+	210.97606	132.7
[M-H]-	171.00562	134.9
[M+Na-2H]-	192.98757	136.3
[M]+	172.01235	134.5
[M]-	172.01345	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe