CID 3051839

Lj 1195

Structural Information

Molecular Formula
C13H16F4N2O
SMILES
C1CN(CCN1CCO)C2=CC(=C(C=C2)F)C(F)(F)F
InChI
InChI=1S/C13H16F4N2O/c14-12-2-1-10(9-11(12)13(15,16)17)19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8H2
InChIKey
ORLVJRJHIXDKEZ-UHFFFAOYSA-N
Compound name
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.11987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12715 165.7
[M+Na]+ 315.10909 172.7
[M-H]- 291.11259 162.6
[M+NH4]+ 310.15369 177.8
[M+K]+ 331.08303 167.5
[M+H-H2O]+ 275.11713 153.9
[M+HCOO]- 337.11807 176.1
[M+CH3COO]- 351.13372 199.0
[M+Na-2H]- 313.09454 166.8
[M]+ 292.11932 156.7
[M]- 292.12042 156.7
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