CID 2736591

4-chloro-6-fluoro-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H4ClF4N
SMILES
C1=CC2=C(C=C1F)C(=CC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H4ClF4N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H
InChIKey
BLIVSENQFPJREV-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

248.99684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00412 144.1
[M+Na]+ 271.98606 156.9
[M-H]- 247.98956 142.8
[M+NH4]+ 267.03066 162.6
[M+K]+ 287.96000 150.6
[M+H-H2O]+ 231.99410 135.1
[M+HCOO]- 293.99504 156.4
[M+CH3COO]- 308.01069 192.4
[M+Na-2H]- 269.97151 150.7
[M]+ 248.99629 141.8
[M]- 248.99739 141.8
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