CID 71428935

[4-(trifluoroacetyl)piperazin-1-yl]phosphonic dichloride

Structural Information

Molecular Formula
C6H8Cl2F3N2O2P
SMILES
C1CN(CCN1C(=O)C(F)(F)F)P(=O)(Cl)Cl
InChI
InChI=1S/C6H8Cl2F3N2O2P/c7-16(8,15)13-3-1-12(2-4-13)5(14)6(9,10)11/h1-4H2
InChIKey
MXNASHSZUXNRBC-UHFFFAOYSA-N
Compound name
1-(4-dichlorophosphorylpiperazin-1-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

297.96524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.97252 152.0
[M+Na]+ 320.95446 160.4
[M-H]- 296.95796 147.5
[M+NH4]+ 315.99906 166.4
[M+K]+ 336.92840 156.2
[M+H-H2O]+ 280.96250 142.3
[M+HCOO]- 342.96344 159.8
[M+CH3COO]- 356.97909 195.9
[M+Na-2H]- 318.93991 152.9
[M]+ 297.96469 148.5
[M]- 297.96579 148.5
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

patents stripe