CID 164511838

1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
C1CN(CCN1)C(CC2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-2-10(8-11)9-12(19)18-6-4-17-5-7-18/h1-3,8,12,17,19H,4-7,9H2
InChIKey
YFLFFJMUDYPBLK-UHFFFAOYSA-N
Compound name
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.1293 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.136576 162.0
[M+Na]+ 297.118518 166.4
[M-H]- 273.122024 158.2
[M+NH4]+ 292.163123 173.5
[M+K]+ 313.092458 161.3
[M+H-H2O]+ 257.126560 151.3
[M+HCOO]- 319.127501 171.1
[M+CH3COO]- 333.143151 192.2
[M+Na-2H]- 295.103966 163.7
[M]+ 274.12875142 151.0
[M]- 274.12984858 151.0
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

patents stripe