CID 16728096

4-(3-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C18H11F6NO
SMILES
COC1=CC=CC(=C1)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H11F6NO/c1-26-11-5-2-4-10(8-11)13-9-15(18(22,23)24)25-16-12(13)6-3-7-14(16)17(19,20)21/h2-9H,1H3
InChIKey
FXCVHDQHACXRQF-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-2,8-bis(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.0745 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.08178 183.9
[M+Na]+ 394.06372 195.1
[M-H]- 370.06722 183.1
[M+NH4]+ 389.10832 196.0
[M+K]+ 410.03766 188.0
[M+H-H2O]+ 354.07176 170.2
[M+HCOO]- 416.07270 195.4
[M+CH3COO]- 430.08835 216.9
[M+Na-2H]- 392.04917 187.4
[M]+ 371.07395 178.3
[M]- 371.07505 178.3
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

No patent data available for this compound.