CID 4390554

5,7-dinitroindoline

Structural Information

Molecular Formula

C₈H₇N₃O₄

SMILES

C1CNC2=C1C=C(C=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O4/c12-10(13)6-3-5-1-2-9-8(5)7(4-6)11(14)15/h3-4,9H,1-2H2

InChIKey

IQBPCKCYMCICBK-UHFFFAOYSA-N

Compound name

5,7-dinitro-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 209.04366 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]+	210.05094	142.7
[M+Na]+	232.03288	154.5
[M+NH4]+	227.07748	150.1
[M+K]+	248.00682	156.3
[M-H]-	208.03638	145.6
[M+Na-2H]-	230.01833	146.2
[M]+	209.04311	144.7
[M]-	209.04421	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe