CID 459615

2-p-tolyl-7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C17H12F3N
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)C=C2
InChI
InChI=1S/C17H12F3N/c1-11-2-4-12(5-3-11)15-9-7-13-6-8-14(17(18,19)20)10-16(13)21-15/h2-10H,1H3
InChIKey
JARINKKBXVZYER-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-7-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0922 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09948 164.3
[M+Na]+ 310.08142 174.6
[M-H]- 286.08492 167.0
[M+NH4]+ 305.12602 179.8
[M+K]+ 326.05536 167.9
[M+H-H2O]+ 270.08946 153.3
[M+HCOO]- 332.09040 181.1
[M+CH3COO]- 346.10605 175.5
[M+Na-2H]- 308.06687 170.3
[M]+ 287.09165 160.9
[M]- 287.09275 160.9
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.