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

45145
Patents

294.90283 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.