CID 15622264

91991-76-3

Structural Information

Molecular Formula
C11H4Cl4F3N
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C11H4Cl4F3N/c12-7-4-8(10(13,14)15)19-9-5(7)2-1-3-6(9)11(16,17)18/h1-4H
InChIKey
LJQTYYBJSXXNTO-UHFFFAOYSA-N
Compound name
4-chloro-2-(trichloromethyl)-8-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

346.905 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.91228 163.5
[M+Na]+ 369.89422 175.4
[M-H]- 345.89772 160.3
[M+NH4]+ 364.93882 178.0
[M+K]+ 385.86816 167.9
[M+H-H2O]+ 329.90226 156.7
[M+HCOO]- 391.90320 159.2
[M+CH3COO]- 405.91885 207.3
[M+Na-2H]- 367.87967 167.4
[M]+ 346.90445 162.8
[M]- 346.90555 162.8
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

patents stripe