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

2
Annotation Hits: 8
References: 4
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]+	197.011226	134.6
[M+Na]+	218.993168	147.3
[M-H]-	194.996674	137.9
[M+NH4]+	214.037773	156.1
[M+K]+	234.967108	142.3
[M+H-H2O]+	179.001210	129.6
[M+HCOO]-	241.002151	155.8
[M+CH3COO]-	255.017801	180.9
[M+Na-2H]-	216.978616	142.3
[M]+	196.00340142	138.4
[M]-	196.00449858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe