CID 27274672

8-bromo-6-(trifluoromethoxy)quinoline

Structural Information

Molecular Formula
C10H5BrF3NO
SMILES
C1=CC2=CC(=CC(=C2N=C1)Br)OC(F)(F)F
InChI
InChI=1S/C10H5BrF3NO/c11-8-5-7(16-10(12,13)14)4-6-2-1-3-15-9(6)8/h1-5H
InChIKey
VDJIPDVPISXOMB-UHFFFAOYSA-N
Compound name
8-bromo-6-(trifluoromethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.95065 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.95793 155.0
[M+Na]+ 313.93987 168.6
[M-H]- 289.94337 157.7
[M+NH4]+ 308.98447 174.3
[M+K]+ 329.91381 156.7
[M+H-H2O]+ 273.94791 152.5
[M+HCOO]- 335.94885 171.0
[M+CH3COO]- 349.96450 196.2
[M+Na-2H]- 311.92532 163.6
[M]+ 290.95010 171.4
[M]- 290.95120 171.4
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