CID 21543557

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

Structural Information

Molecular Formula
C10H4BrClF3N
SMILES
C1=CC2=C(C=C1Cl)C(=CC(=N2)C(F)(F)F)Br
InChI
InChI=1S/C10H4BrClF3N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H
InChIKey
XBWOMWBSPFAUEL-UHFFFAOYSA-N
Compound name
4-bromo-6-chloro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.91678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.924056 155.6
[M+Na]+ 331.905998 171.2
[M-H]- 307.909504 158.4
[M+NH4]+ 326.950603 175.5
[M+K]+ 347.879938 156.9
[M+H-H2O]+ 291.914040 154.0
[M+HCOO]- 353.914981 167.1
[M+CH3COO]- 367.930631 198.9
[M+Na-2H]- 329.891446 163.3
[M]+ 308.91623142 173.0
[M]- 308.91732858 173.0
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