CID 2782906

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

Structural Information

Molecular Formula
C10H4BrClF3N
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)C(F)(F)F)Br)Cl
InChI
InChI=1S/C10H4BrClF3N/c11-7-8(12)5-3-1-2-4-6(5)16-9(7)10(13,14)15/h1-4H
InChIKey
NIZYLEKJSBTGJS-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.91678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.92406 155.6
[M+Na]+ 331.90600 171.2
[M-H]- 307.90950 158.4
[M+NH4]+ 326.95060 175.5
[M+K]+ 347.87994 156.9
[M+H-H2O]+ 291.91404 154.0
[M+HCOO]- 353.91498 167.1
[M+CH3COO]- 367.93063 198.9
[M+Na-2H]- 329.89145 163.3
[M]+ 308.91623 173.0
[M]- 308.91733 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

No patent data available for this compound.