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

7
Annotation Hits: 123
References: 37544
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	162.4
[M+Na]+	317.89205	175.7
[M+NH4]+	312.93665	170.9
[M+K]+	333.86599	168.0
[M-H]-	293.89555	162.7
[M+Na-2H]-	315.87750	166.1
[M]+	294.90228	165.6
[M]-	294.90338	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe