CID 69755

Fluorofolpet

Structural Information

Molecular Formula

C₉H₄Cl₂FNO₂S

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(Cl)Cl

InChI

InChI=1S/C9H4Cl2FNO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H

InChIKey

NCDBYAPSWOPDRN-UHFFFAOYSA-N

Compound name

2-[dichloro(fluoro)methyl]sulfanylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5861
Patents: 278.93237 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]+	279.93965	154.2
[M+Na]+	301.92159	166.6
[M-H]-	277.92509	156.7
[M+NH4]+	296.96619	174.1
[M+K]+	317.89553	160.7
[M+H-H2O]+	261.92963	149.9
[M+HCOO]-	323.93057	160.1
[M+CH3COO]-	337.94622	192.6
[M+Na-2H]-	299.90704	156.0
[M]+	278.93182	159.0
[M]-	278.93292	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe