CID 118988267

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

Structural Information

Molecular Formula
C15H17BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=NC3=C(C=C2)F
InChI
InChI=1S/C15H17BFNO2/c1-14(2)15(3,4)20-16(19-14)11-7-8-12(17)13-10(11)6-5-9-18-13/h5-9H,1-4H3
InChIKey
WWLVXEVGHLHAAH-UHFFFAOYSA-N
Compound name
8-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.13364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14092 157.8
[M+Na]+ 296.12286 169.1
[M-H]- 272.12636 165.1
[M+NH4]+ 291.16746 177.6
[M+K]+ 312.09680 167.5
[M+H-H2O]+ 256.13090 150.5
[M+HCOO]- 318.13184 175.6
[M+CH3COO]- 332.14749 171.2
[M+Na-2H]- 294.10831 163.6
[M]+ 273.13309 160.1
[M]- 273.13419 160.1
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

patents stripe