CID 16728108

4-imidazol-1-yl-2,8-bis(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C14H7F6N3
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2N3C=CN=C3)C(F)(F)F
InChI
InChI=1S/C14H7F6N3/c15-13(16,17)9-3-1-2-8-10(23-5-4-21-7-23)6-11(14(18,19)20)22-12(8)9/h1-7H
InChIKey
UADAHBIDYZEIAQ-UHFFFAOYSA-N
Compound name
4-imidazol-1-yl-2,8-bis(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.0544 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06168 169.8
[M+Na]+ 354.04362 182.8
[M-H]- 330.04712 167.2
[M+NH4]+ 349.08822 182.7
[M+K]+ 370.01756 175.5
[M+H-H2O]+ 314.05166 156.2
[M+HCOO]- 376.05260 182.2
[M+CH3COO]- 390.06825 206.9
[M+Na-2H]- 352.02907 174.6
[M]+ 331.05385 164.6
[M]- 331.05495 164.6
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.