CID 135398503

5'-fluoroindirubinoxime

Structural Information

Molecular Formula

C₁₆H₁₀FN₃O₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)F)O)N=O

InChI

InChI=1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H

InChIKey

LAPHNLUPQPQSKF-UHFFFAOYSA-N

Compound name

5-fluoro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 31
Patents: 295.0757 Da
Monoisotopic Mass: 3.3
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]+	296.082976	161.6
[M+Na]+	318.064918	174.7
[M-H]-	294.068424	166.4
[M+NH4]+	313.109523	178.9
[M+K]+	334.038858	167.4
[M+H-H2O]+	278.072960	153.7
[M+HCOO]-	340.073901	184.2
[M+CH3COO]-	354.089551	174.3
[M+Na-2H]-	316.050366	166.6
[M]+	295.07515142	163.6
[M]-	295.07624858	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe