CID 11437322

8-bromo-4-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5BrF3N
SMILES
C1=CC2=C(C=CN=C2C(=C1)Br)C(F)(F)F
InChI
InChI=1S/C10H5BrF3N/c11-8-3-1-2-6-7(10(12,13)14)4-5-15-9(6)8/h1-5H
InChIKey
LXIPPSZRMNAIJJ-UHFFFAOYSA-N
Compound name
8-bromo-4-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.95575 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.963026 152.0
[M+Na]+ 297.944968 165.8
[M-H]- 273.948474 154.7
[M+NH4]+ 292.989573 172.0
[M+K]+ 313.918908 153.3
[M+H-H2O]+ 257.953010 149.8
[M+HCOO]- 319.953951 167.9
[M+CH3COO]- 333.969601 194.3
[M+Na-2H]- 295.930416 160.6
[M]+ 274.95520142 167.1
[M]- 274.95629858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.