CID 428737

Dipotassium (2-nitro-1-sulfanidylethenyl)sulfanide

Structural Information

Molecular Formula

C₂H₃NO₂S₂

SMILES

C(=C(S)S)[N+](=O)[O-]

InChI

InChI=1S/C2H3NO2S2/c4-3(5)1-2(6)7/h1,6-7H

InChIKey

JQSMKARVLHXFPB-UHFFFAOYSA-N

Compound name

2-nitroethene-1,1-dithiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 136.96053 Da
Monoisotopic Mass: 0.8
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]+	137.96781	120.1
[M+Na]+	159.94975	127.4
[M-H]-	135.95325	120.8
[M+NH4]+	154.99435	141.2
[M+K]+	175.92369	121.3
[M+H-H2O]+	119.95779	119.7
[M+HCOO]-	181.95873	133.7
[M+CH3COO]-	195.97438	164.5
[M+Na-2H]-	157.93520	122.9
[M]+	136.95998	119.0
[M]-	136.96108	119.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe