CID 74895

2-amino-3,5-dinitrothiophene

Structural Information

Molecular Formula

C₄H₃N₃O₄S

SMILES

C1=C(SC(=C1[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2

InChIKey

DZRZHFOFVWAKGT-UHFFFAOYSA-N

Compound name

3,5-dinitrothiophen-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 225
Patents: 188.98442 Da
Monoisotopic Mass: 1.8
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]+	189.99170	135.3
[M+Na]+	211.97364	145.4
[M+NH4]+	207.01824	142.8
[M+K]+	227.94758	146.6
[M-H]-	187.97714	138.8
[M+Na-2H]-	209.95909	138.8
[M]+	188.98387	137.6
[M]-	188.98497	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe