CID 237577

1,4-bis(trichloroacetyl)piperazine

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 174.5
[M+Na]+ 396.86092 178.8
[M-H]- 372.86442 168.4
[M+NH4]+ 391.90552 183.1
[M+K]+ 412.83486 176.1
[M+H-H2O]+ 356.86896 169.9
[M+HCOO]- 418.86990 158.0
[M+CH3COO]- 432.88555 210.1
[M+Na-2H]- 394.84637 171.6
[M]+ 373.87115 167.6
[M]- 373.87225 167.6
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.