CID 3062647

Phthalimide, 4-amino-n-(trichloromethylthio)-

Structural Information

Molecular Formula
C9H5Cl3N2O2S
SMILES
C1=CC2=C(C=C1N)C(=O)N(C2=O)SC(Cl)(Cl)Cl
InChI
InChI=1S/C9H5Cl3N2O2S/c10-9(11,12)17-14-7(15)5-2-1-4(13)3-6(5)8(14)16/h1-3H,13H2
InChIKey
GGEQKKOSNAYSOT-UHFFFAOYSA-N
Compound name
5-amino-2-(trichloromethylsulfanyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.91373 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.92101 164.9
[M+Na]+ 332.90295 176.7
[M-H]- 308.90645 167.3
[M+NH4]+ 327.94755 183.1
[M+K]+ 348.87689 170.3
[M+H-H2O]+ 292.91099 162.1
[M+HCOO]- 354.91193 166.6
[M+CH3COO]- 368.92758 199.8
[M+Na-2H]- 330.88840 165.0
[M]+ 309.91318 169.0
[M]- 309.91428 169.0
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.