CID 79886203

2825005-64-7

Structural Information

Molecular Formula
C7H10ClF3N2O
SMILES
C1CN(CCN1CC(F)(F)F)C(=O)Cl
InChI
InChI=1S/C7H10ClF3N2O/c8-6(14)13-3-1-12(2-4-13)5-7(9,10)11/h1-5H2
InChIKey
KOVZYEFLIVXBPU-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04338 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05066 143.9
[M+Na]+ 253.03260 151.4
[M-H]- 229.03610 140.2
[M+NH4]+ 248.07720 160.0
[M+K]+ 269.00654 148.1
[M+H-H2O]+ 213.04064 135.2
[M+HCOO]- 275.04158 152.2
[M+CH3COO]- 289.05723 186.0
[M+Na-2H]- 251.01805 146.8
[M]+ 230.04283 138.0
[M]- 230.04393 138.0
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.