CID 133676040

2-[2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.1646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17188 158.0
[M+Na]+ 303.15382 167.5
[M-H]- 279.15732 164.4
[M+NH4]+ 298.19842 177.5
[M+K]+ 319.12776 167.2
[M+H-H2O]+ 263.16186 154.0
[M+HCOO]- 325.16280 174.5
[M+CH3COO]- 339.17845 198.9
[M+Na-2H]- 301.13927 163.2
[M]+ 280.16405 160.4
[M]- 280.16515 160.4
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