CID 6424838

7-nitrooxindole

Structural Information

Molecular Formula

C₈H₆N₂O₃

SMILES

C1C2=C(C(=CC=C2)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)

InChIKey

VGANBSWHOYEFKJ-UHFFFAOYSA-N

Compound name

7-nitro-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 178.03784 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]+	179.04512	132.5
[M+Na]+	201.02706	144.7
[M+NH4]+	196.07166	140.6
[M+K]+	217.00100	143.8
[M-H]-	177.03056	134.4
[M+Na-2H]-	199.01251	137.0
[M]+	178.03729	134.4
[M]-	178.03839	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe