CID 2778955

493024-38-7

Structural Information

Molecular Formula
C18H14F3NO
SMILES
C1=CC=C2C(=C1)C(=CC=N2)CC(C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C18H14F3NO/c19-18(20,21)14-7-5-12(6-8-14)17(23)11-13-9-10-22-16-4-2-1-3-15(13)16/h1-10,17,23H,11H2
InChIKey
CKXRKWAKMIHZSV-UHFFFAOYSA-N
Compound name
2-quinolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10275 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11003 171.8
[M+Na]+ 340.09197 179.8
[M-H]- 316.09547 172.7
[M+NH4]+ 335.13657 184.9
[M+K]+ 356.06591 173.2
[M+H-H2O]+ 300.10001 160.8
[M+HCOO]- 362.10095 186.0
[M+CH3COO]- 376.11660 204.8
[M+Na-2H]- 338.07742 176.6
[M]+ 317.10220 167.4
[M]- 317.10330 167.4
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.