CID 46739104

8-trifluoromethylquinoline-6-boronic acid

Structural Information

Molecular Formula
C10H7BF3NO2
SMILES
B(C1=CC2=C(C(=C1)C(F)(F)F)N=CC=C2)(O)O
InChI
InChI=1S/C10H7BF3NO2/c12-10(13,14)8-5-7(11(16)17)4-6-2-1-3-15-9(6)8/h1-5,16-17H
InChIKey
MVVOQVNBQLPPSD-UHFFFAOYSA-N
Compound name
[8-(trifluoromethyl)quinolin-6-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.0522 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05948 146.4
[M+Na]+ 264.04142 155.8
[M-H]- 240.04492 143.5
[M+NH4]+ 259.08602 162.6
[M+K]+ 280.01536 151.4
[M+H-H2O]+ 224.04946 137.9
[M+HCOO]- 286.05040 160.6
[M+CH3COO]- 300.06605 186.9
[M+Na-2H]- 262.02687 152.5
[M]+ 241.05165 141.6
[M]- 241.05275 141.6
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

patents stripe