CID 129617

68496-04-8

Structural Information

Molecular Formula
C17H10F6N2O
SMILES
C1=CC=NC(=C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C17H10F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h1-8,15,26H
InChIKey
LUDFDSXDVJABBT-UHFFFAOYSA-N
Compound name
[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

372.06973 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07701 179.1
[M+Na]+ 395.05895 185.6
[M+NH4]+ 390.10355 180.9
[M+K]+ 411.03289 181.5
[M-H]- 371.06245 173.7
[M+Na-2H]- 393.04440 181.5
[M]+ 372.06918 178.1
[M]- 372.07028 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe