CID 135502903

Ns309

Structural Information

Molecular Formula

C₈H₄Cl₂N₂O₂

SMILES

C1=CC(=C(C2=C1C(=C(N2)O)N=O)Cl)Cl

InChI

InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,11,13H

InChIKey

ROBYKNONIPZMTK-UHFFFAOYSA-N

Compound name

6,7-dichloro-3-nitroso-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 62
References: 110
Patents: 229.96498 Da
Monoisotopic Mass: 3.2
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]+	230.97226	141.6
[M+Na]+	252.95420	155.3
[M-H]-	228.95770	144.4
[M+NH4]+	247.99880	162.3
[M+K]+	268.92814	149.2
[M+H-H2O]+	212.96224	137.5
[M+HCOO]-	274.96318	157.5
[M+CH3COO]-	288.97883	186.8
[M+Na-2H]-	250.93965	147.7
[M]+	229.96443	146.7
[M]-	229.96553	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe