CID 83623

1,1-bis(methylthio)-2-nitroethylene

Structural Information

Molecular Formula

C₄H₇NO₂S₂

SMILES

CSC(=C[N+](=O)[O-])SC

InChI

InChI=1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3

InChIKey

NXGHEDHQXXXTTP-UHFFFAOYSA-N

Compound name

1,1-bis(methylsulfanyl)-2-nitroethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1196
Patents: 164.99182 Da
Monoisotopic Mass: 1.6
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]+	165.99910	128.9
[M+Na]+	187.98104	138.4
[M+NH4]+	183.02564	137.3
[M+K]+	203.95498	132.6
[M-H]-	163.98454	129.8
[M+Na-2H]-	185.96649	131.0
[M]+	164.99127	131.1
[M]-	164.99237	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe