CID 75356281

2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H22BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)COCC)F
InChI
InChI=1S/C15H22BFO3/c1-6-18-10-11-7-8-12(9-13(11)17)16-19-14(2,3)15(4,5)20-16/h7-9H,6,10H2,1-5H3
InChIKey
XUXUMFJGQLOECD-UHFFFAOYSA-N
Compound name
2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17188 158.5
[M+Na]+ 303.15382 168.1
[M-H]- 279.15732 166.0
[M+NH4]+ 298.19842 178.6
[M+K]+ 319.12776 168.1
[M+H-H2O]+ 263.16186 153.3
[M+HCOO]- 325.16280 178.1
[M+CH3COO]- 339.17845 200.8
[M+Na-2H]- 301.13927 162.8
[M]+ 280.16405 163.1
[M]- 280.16515 163.1
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

No patent data available for this compound.