CID 22240116

627526-35-6

Structural Information

Molecular Formula
C16H18BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=CC=CC=C23)F
InChI
InChI=1S/C16H18BFO2/c1-15(2)16(3,4)20-17(19-15)13-9-10-14(18)12-8-6-5-7-11(12)13/h5-10H,1-4H3
InChIKey
JYOPNVFIMNCXRZ-UHFFFAOYSA-N
Compound name
2-(4-fluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

272.1384 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14568 157.8
[M+Na]+ 295.12762 168.8
[M-H]- 271.13112 166.5
[M+NH4]+ 290.17222 179.1
[M+K]+ 311.10156 167.1
[M+H-H2O]+ 255.13566 151.6
[M+HCOO]- 317.13660 176.6
[M+CH3COO]- 331.15225 171.6
[M+Na-2H]- 293.11307 163.5
[M]+ 272.13785 160.0
[M]- 272.13895 160.0
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