CID 237577

6302-99-4

Structural Information

Molecular Formula
C8H8Cl6N2O2
SMILES
C1CN(CCN1C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H8Cl6N2O2/c9-7(10,11)5(17)15-1-2-16(4-3-15)6(18)8(12,13)14/h1-4H2
InChIKey
PQYIBUUHNHPHRO-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-[4-(2,2,2-trichloroacetyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.8717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.87898 183.2
[M+Na]+ 396.86092 192.1
[M+NH4]+ 391.90552 187.6
[M+K]+ 412.83486 186.6
[M-H]- 372.86442 179.7
[M+Na-2H]- 394.84637 184.2
[M]+ 373.87115 184.5
[M]- 373.87225 184.5
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.