CID 12661303

4-bromo-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5BrF3N
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)Br
InChI
InChI=1S/C10H5BrF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKey
JRTGGNDDSKKPQE-UHFFFAOYSA-N
Compound name
4-bromo-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

274.95575 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96303 152.0
[M+Na]+ 297.94497 165.8
[M-H]- 273.94847 154.7
[M+NH4]+ 292.98957 172.0
[M+K]+ 313.91891 153.3
[M+H-H2O]+ 257.95301 149.8
[M+HCOO]- 319.95395 167.9
[M+CH3COO]- 333.96960 194.3
[M+Na-2H]- 295.93042 160.6
[M]+ 274.95520 167.1
[M]- 274.95630 167.1
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