CID 3056386

Phthalimide, 4-nitro-n-trichloromethylthio-

Structural Information

Molecular Formula
C9H3Cl3N2O4S
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)SC(Cl)(Cl)Cl
InChI
InChI=1S/C9H3Cl3N2O4S/c10-9(11,12)19-13-7(15)4-2-1-3-5(14(17)18)6(4)8(13)16/h1-3H
InChIKey
RCPLHWOKWNLFBE-UHFFFAOYSA-N
Compound name
4-nitro-2-(trichloromethylsulfanyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.8879 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.89518 170.8
[M+Na]+ 362.87712 180.2
[M-H]- 338.88062 173.1
[M+NH4]+ 357.92172 186.8
[M+K]+ 378.85106 171.5
[M+H-H2O]+ 322.88516 172.5
[M+HCOO]- 384.88610 172.9
[M+CH3COO]- 398.90175 196.7
[M+Na-2H]- 360.86257 173.5
[M]+ 339.88735 174.6
[M]- 339.88845 174.6
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.