CID 3051822

Lj 1142

Structural Information

Molecular Formula
C14H19F3N2O2
SMILES
C1CN(CCN1CC(CO)O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H19F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19-6-4-18(5-7-19)9-13(21)10-20/h1-3,8,13,20-21H,4-7,9-10H2
InChIKey
DMNPQIPZBGWMQT-UHFFFAOYSA-N
Compound name
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.13986 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14714 169.8
[M+Na]+ 327.12908 174.5
[M-H]- 303.13258 166.1
[M+NH4]+ 322.17368 180.2
[M+K]+ 343.10302 169.8
[M+H-H2O]+ 287.13712 158.9
[M+HCOO]- 349.13806 178.7
[M+CH3COO]- 363.15371 198.5
[M+Na-2H]- 325.11453 170.3
[M]+ 304.13931 160.9
[M]- 304.14041 160.9
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