CID 628370

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

Structural Information

Molecular Formula
C10H4BrClF3N
SMILES
C1=CC2=C(C(=C1)Br)N=C(C=C2Cl)C(F)(F)F
InChI
InChI=1S/C10H4BrClF3N/c11-6-3-1-2-5-7(12)4-8(10(13,14)15)16-9(5)6/h1-4H
InChIKey
KKGSBQKOZKBRKL-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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

No literature data available for this compound.

Patent stripe

patents stripe