CID 22717047

1-(trifluoromethyl)piperazine hydrochloride

Structural Information

Molecular Formula
C5H9F3N2
SMILES
C1CN(CCN1)C(F)(F)F
InChI
InChI=1S/C5H9F3N2/c6-5(7,8)10-3-1-9-2-4-10/h9H,1-4H2
InChIKey
GYTNHXJUEGTRJD-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

465
Patents

154.07178 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.079056 130.0
[M+Na]+ 177.060998 136.2
[M-H]- 153.064504 124.8
[M+NH4]+ 172.105603 147.3
[M+K]+ 193.034938 134.0
[M+H-H2O]+ 137.069040 121.1
[M+HCOO]- 199.069981 142.5
[M+CH3COO]- 213.085631 171.1
[M+Na-2H]- 175.046446 135.5
[M]+ 154.07123142 119.1
[M]- 154.07232858 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe