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

3
Patents

274.1293 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13658 162.0
[M+Na]+ 297.11852 167.8
[M-H]- 273.12202 160.0
[M+NH4]+ 292.16312 174.6
[M+K]+ 313.09246 163.6
[M+H-H2O]+ 257.12656 151.2
[M+HCOO]- 319.12750 172.6
[M+CH3COO]- 333.14315 195.9
[M+Na-2H]- 295.10397 163.4
[M]+ 274.12875 153.2
[M]- 274.12985 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