CID 16728106

N,n-dimethyl-2,8-bis(trifluoromethyl)quinolin-4-amine

Structural Information

Molecular Formula
C13H10F6N2
SMILES
CN(C)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C13H10F6N2/c1-21(2)9-6-10(13(17,18)19)20-11-7(9)4-3-5-8(11)12(14,15)16/h3-6H,1-2H3
InChIKey
VFTJAHLUWNQKAG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,8-bis(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.07483 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08211 164.6
[M+Na]+ 331.06405 175.2
[M-H]- 307.06755 162.1
[M+NH4]+ 326.10865 179.9
[M+K]+ 347.03799 170.8
[M+H-H2O]+ 291.07209 152.6
[M+HCOO]- 353.07303 178.0
[M+CH3COO]- 367.08868 211.4
[M+Na-2H]- 329.04950 169.0
[M]+ 308.07428 158.4
[M]- 308.07538 158.4
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.