CID 66994394

1350426-06-0

Structural Information

Molecular Formula
C15H22BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC(C)C)F
InChI
InChI=1S/C15H22BFO3/c1-10(2)18-13-8-7-11(9-12(13)17)16-19-14(3,4)15(5,6)20-16/h7-10H,1-6H3
InChIKey
BVYVWKIIVJNFLU-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

280.1646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17188 158.6
[M+Na]+ 303.15382 167.9
[M-H]- 279.15732 166.2
[M+NH4]+ 298.19842 178.6
[M+K]+ 319.12776 168.4
[M+H-H2O]+ 263.16186 153.6
[M+HCOO]- 325.16280 177.2
[M+CH3COO]- 339.17845 201.8
[M+Na-2H]- 301.13927 161.7
[M]+ 280.16405 162.6
[M]- 280.16515 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe