CID 17039584

927800-47-3

Structural Information

Molecular Formula
C10H4Cl4FN
SMILES
C1=CC2=C(C=C1F)C(=CC(=N2)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl4FN/c11-7-4-9(10(12,13)14)16-8-2-1-5(15)3-6(7)8/h1-4H
InChIKey
QQZORGMGEWUHTQ-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-2-(trichloromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.9082 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.91548 154.8
[M+Na]+ 319.89742 166.6
[M-H]- 295.90092 153.7
[M+NH4]+ 314.94202 171.1
[M+K]+ 335.87136 159.7
[M+H-H2O]+ 279.90546 149.8
[M+HCOO]- 341.90640 154.0
[M+CH3COO]- 355.92205 165.1
[M+Na-2H]- 317.88287 159.4
[M]+ 296.90765 156.1
[M]- 296.90875 156.1
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.