CID 135636094

6-chloro-3-(hydroxyimino)-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula

C₈H₅ClN₂O₂

SMILES

C1=CC2=C(C=C1Cl)NC(=C2N=O)O

InChI

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

InChIKey

PYCYCZHXUZPLHH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	134.6
[M+Na]+	218.99317	147.3
[M-H]-	194.99667	137.9
[M+NH4]+	214.03777	156.1
[M+K]+	234.96711	142.3
[M+H-H2O]+	179.00121	129.6
[M+HCOO]-	241.00215	155.8
[M+CH3COO]-	255.01780	180.9
[M+Na-2H]-	216.97862	142.3
[M]+	196.00340	138.4
[M]-	196.00450	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe