CID 42383

57494-91-4

Structural Information

Molecular Formula

C₈H₇N₃S₂

SMILES

C1=CC=C(C=C1)N=C2N=C(SS2)N

InChI

InChI=1S/C8H7N3S2/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)

InChIKey

SAPDXGHAYNDXOP-UHFFFAOYSA-N

Compound name

5-phenylimino-1,2,4-dithiazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 209.00813 Da
Monoisotopic Mass: 1.9
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]+	210.01541	138.7
[M+Na]+	231.99735	150.4
[M+NH4]+	227.04195	148.6
[M+K]+	247.97129	141.6
[M-H]-	208.00085	144.1
[M+Na-2H]-	229.98280	146.9
[M]+	209.00758	142.8
[M]-	209.00868	142.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.