CID 198612

85124-16-9

Structural Information

Molecular Formula

C₈H₅ClN₂O₂

SMILES

C1=CC2=C(C=C1Cl)C(=C(N2)O)N=O

InChI

InChI=1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(11-13)8(12)10-6/h1-3,10,12H

InChIKey

YEMCVLHZEIKIKZ-UHFFFAOYSA-N

Compound name

5-chloro-3-nitroso-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 8
Patents: 196.00395 Da
Monoisotopic Mass: 2.6
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]+	197.01123	134.3
[M+Na]+	218.99317	148.4
[M+NH4]+	214.03777	142.9
[M+K]+	234.96711	143.7
[M-H]-	194.99667	136.0
[M+Na-2H]-	216.97862	140.9
[M]+	196.00340	137.0
[M]-	196.00450	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe