CID 3058192

4-(4-methyl-1-piperazinyl)-alpha-(trifluoromethyl)benzenemethanol

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C(C(F)(F)F)O
InChI
InChI=1S/C13H17F3N2O/c1-17-6-8-18(9-7-17)11-4-2-10(3-5-11)12(19)13(14,15)16/h2-5,12,19H,6-9H2,1H3
InChIKey
MBRNGZCUHLCKEZ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.1293 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.136576 162.0
[M+Na]+ 297.118518 167.8
[M-H]- 273.122024 160.0
[M+NH4]+ 292.163123 174.6
[M+K]+ 313.092458 163.6
[M+H-H2O]+ 257.126560 151.2
[M+HCOO]- 319.127501 172.6
[M+CH3COO]- 333.143151 195.9
[M+Na-2H]- 295.103966 163.4
[M]+ 274.12875142 153.2
[M]- 274.12984858 153.2
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