CID 8607

Folpet

Structural Information

Molecular Formula

C₉H₄Cl₃NO₂S

SMILES

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

InChI

InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H

InChIKey

HKIOYBQGHSTUDB-UHFFFAOYSA-N

Compound name

2-(trichloromethylsulfanyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 123
References: 40836
Patents: 294.90283 Da
Monoisotopic Mass: 2.8
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]+	295.91011	160.3
[M+Na]+	317.89205	172.3
[M-H]-	293.89555	163.1
[M+NH4]+	312.93665	179.5
[M+K]+	333.86599	166.3
[M+H-H2O]+	277.90009	157.3
[M+HCOO]-	339.90103	161.7
[M+CH3COO]-	353.91668	194.6
[M+Na-2H]-	315.87750	161.3
[M]+	294.90228	165.6
[M]-	294.90338	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe