CID 4071242

4-bromo-2,8-bis(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C11H4BrF6N
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Br)C(F)(F)F
InChI
InChI=1S/C11H4BrF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
InChIKey
DXALAFAFIXJDOS-UHFFFAOYSA-N
Compound name
4-bromo-2,8-bis(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

342.9431 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.95038 171.0
[M+Na]+ 365.93232 185.7
[M-H]- 341.93582 170.3
[M+NH4]+ 360.97692 188.4
[M+K]+ 381.90626 172.1
[M+H-H2O]+ 325.94036 166.3
[M+HCOO]- 387.94130 181.7
[M+CH3COO]- 401.95695 206.0
[M+Na-2H]- 363.91777 176.7
[M]+ 342.94255 182.2
[M]- 342.94365 182.2
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