CID 165459763

8-fluoro-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Structural Information

Molecular Formula
C16H19BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C3C(=C2C)C=CC=C3F
InChI
InChI=1S/C16H19BFNO2/c1-10-11-7-6-8-13(18)14(11)19-9-12(10)17-20-15(2,3)16(4,5)21-17/h6-9H,1-5H3
InChIKey
JFSQMMFRFGRFOU-UHFFFAOYSA-N
Compound name
8-fluoro-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1493 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15658 161.7
[M+Na]+ 310.13852 173.5
[M-H]- 286.14202 169.2
[M+NH4]+ 305.18312 181.3
[M+K]+ 326.11246 171.7
[M+H-H2O]+ 270.14656 154.6
[M+HCOO]- 332.14750 179.1
[M+CH3COO]- 346.16315 175.1
[M+Na-2H]- 308.12397 166.4
[M]+ 287.14875 164.8
[M]- 287.14985 164.8
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.