CID 90418116

2-(5-fluoro-1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H16BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CO3)C=C2F
InChI
InChI=1S/C14H16BFO3/c1-13(2)14(3,4)19-15(18-13)10-8-12-9(5-6-17-12)7-11(10)16/h5-8H,1-4H3
InChIKey
OOUHXMQEKDTEOA-UHFFFAOYSA-N
Compound name
2-(5-fluoro-1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

262.11765 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.124926 150.9
[M+Na]+ 285.106868 163.6
[M-H]- 261.110374 160.9
[M+NH4]+ 280.151473 173.2
[M+K]+ 301.080808 163.6
[M+H-H2O]+ 245.114910 147.2
[M+HCOO]- 307.115851 171.8
[M+CH3COO]- 321.131501 166.4
[M+Na-2H]- 283.092316 157.2
[M]+ 262.11710142 156.9
[M]- 262.11819858 156.9
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