CID 28969145

942493-23-4

Structural Information

Molecular Formula

C₈H₃ClFNO₂

SMILES

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

InChI

InChI=1S/C8H3ClFNO2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)

InChIKey

KPIXRLPJNJURAJ-UHFFFAOYSA-N

Compound name

6-chloro-7-fluoro-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 198.98363 Da
Monoisotopic Mass: 1.4
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]+	199.99091	134.1
[M+Na]+	221.97285	147.0
[M-H]-	197.97635	135.7
[M+NH4]+	217.01745	155.8
[M+K]+	237.94679	141.4
[M+H-H2O]+	181.98089	129.0
[M+HCOO]-	243.98183	150.6
[M+CH3COO]-	257.99748	179.6
[M+Na-2H]-	219.95830	138.3
[M]+	198.98308	134.3
[M]-	198.98418	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe