CID 3014355

5,6,8-trifluoroquinoline

Structural Information

Molecular Formula
C9H4F3N
SMILES
C1=CC2=C(C(=CC(=C2F)F)F)N=C1
InChI
InChI=1S/C9H4F3N/c10-6-4-7(11)9-5(8(6)12)2-1-3-13-9/h1-4H
InChIKey
DFYPWUZXTWLPSC-UHFFFAOYSA-N
Compound name
5,6,8-trifluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

183.02959 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.03687 130.3
[M+Na]+ 206.01881 142.2
[M-H]- 182.02231 130.5
[M+NH4]+ 201.06341 150.5
[M+K]+ 221.99275 137.9
[M+H-H2O]+ 166.02685 121.4
[M+HCOO]- 228.02779 150.2
[M+CH3COO]- 242.04344 144.0
[M+Na-2H]- 204.00426 137.9
[M]+ 183.02904 127.3
[M]- 183.03014 127.3
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

patents stripe