CID 2778682

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

Structural Information

Molecular Formula
C10H4BrClF3N
SMILES
C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
InChIKey
JKEQQFAWABXNFV-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
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