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

25
Patents

262.11765 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12493 150.9
[M+Na]+ 285.10687 163.6
[M-H]- 261.11037 160.9
[M+NH4]+ 280.15147 173.2
[M+K]+ 301.08081 163.6
[M+H-H2O]+ 245.11491 147.2
[M+HCOO]- 307.11585 171.8
[M+CH3COO]- 321.13150 166.4
[M+Na-2H]- 283.09232 157.2
[M]+ 262.11710 156.9
[M]- 262.11820 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