CID 293516

102259-70-1

Structural Information

Molecular Formula
C15H14F6N2O
SMILES
CN(C)C1=CC2=C(C=C1)N=C(C=C2)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C15H14F6N2O/c1-23(2)11-5-6-12-9(7-11)3-4-10(22-12)8-13(24,14(16,17)18)15(19,20)21/h3-7,24H,8H2,1-2H3
InChIKey
AWILFNKHRQWBNJ-UHFFFAOYSA-N
Compound name
2-[[6-(dimethylamino)quinolin-2-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.10104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10832 176.9
[M+Na]+ 375.09026 185.5
[M-H]- 351.09376 172.6
[M+NH4]+ 370.13486 189.4
[M+K]+ 391.06420 181.0
[M+H-H2O]+ 335.09830 165.1
[M+HCOO]- 397.09924 186.7
[M+CH3COO]- 411.11489 216.1
[M+Na-2H]- 373.07571 181.8
[M]+ 352.10049 169.9
[M]- 352.10159 169.9
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

No patent data available for this compound.