CID 210870

21787-65-5

Structural Information

Molecular Formula

C₇H₆N₂O₂S₂

SMILES

CN(C=O)C1=C2C(=CSS2)NC1=O

InChI

InChI=1S/C7H6N2O2S2/c1-9(3-10)5-6-4(2-12-13-6)8-7(5)11/h2-3H,1H3,(H,8,11)

InChIKey

BFQVDMXSAODADC-UHFFFAOYSA-N

Compound name

N-methyl-N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 213.98708 Da
Monoisotopic Mass: -0.6
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]+	214.99436	141.7
[M+Na]+	236.97630	154.3
[M-H]-	212.97980	146.7
[M+NH4]+	232.02090	164.8
[M+K]+	252.95024	150.8
[M+H-H2O]+	196.98434	137.4
[M+HCOO]-	258.98528	158.5
[M+CH3COO]-	273.00093	184.5
[M+Na-2H]-	234.96175	143.0
[M]+	213.98653	148.0
[M]-	213.98763	148.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.