CID 3051847

Lj 1143

Structural Information

Molecular Formula
C17H23F3N2O
SMILES
C1CCC(C(C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C17H23F3N2O/c18-17(19,20)13-4-3-5-14(12-13)21-8-10-22(11-9-21)15-6-1-2-7-16(15)23/h3-5,12,15-16,23H,1-2,6-11H2
InChIKey
PWHWLTJFLTZFAA-UHFFFAOYSA-N
Compound name
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.17624 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18352 179.5
[M+Na]+ 351.16546 182.9
[M-H]- 327.16896 179.5
[M+NH4]+ 346.21006 189.3
[M+K]+ 367.13940 177.1
[M+H-H2O]+ 311.17350 166.9
[M+HCOO]- 373.17444 186.6
[M+CH3COO]- 387.19009 205.2
[M+Na-2H]- 349.15091 178.4
[M]+ 328.17569 166.2
[M]- 328.17679 166.2
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