CID 164192

8-fluoro-4-(2-(3-(trifluoromethyl)phenyl)ethoxy)quinoline

Structural Information

Molecular Formula
C18H13F4NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CCOC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C18H13F4NO/c19-15-6-2-5-14-16(7-9-23-17(14)15)24-10-8-12-3-1-4-13(11-12)18(20,21)22/h1-7,9,11H,8,10H2
InChIKey
ZKKVGGDNUHRUJH-UHFFFAOYSA-N
Compound name
8-fluoro-4-[2-[3-(trifluoromethyl)phenyl]ethoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

335.09332 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10060 176.0
[M+Na]+ 358.08254 185.8
[M-H]- 334.08604 177.1
[M+NH4]+ 353.12714 189.3
[M+K]+ 374.05648 179.0
[M+H-H2O]+ 318.09058 163.5
[M+HCOO]- 380.09152 191.5
[M+CH3COO]- 394.10717 210.3
[M+Na-2H]- 356.06799 180.8
[M]+ 335.09277 173.1
[M]- 335.09387 173.1
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