CID 155822614

2-[3-fluoro-4-(propan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H22BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(C)C)F
InChI
InChI=1S/C15H22BFO2/c1-10(2)12-8-7-11(9-13(12)17)16-18-14(3,4)15(5,6)19-16/h7-10H,1-6H3
InChIKey
PGSRLISPPXGGDD-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-propan-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17696 155.2
[M+Na]+ 287.15890 164.7
[M-H]- 263.16240 162.8
[M+NH4]+ 282.20350 176.0
[M+K]+ 303.13284 164.6
[M+H-H2O]+ 247.16694 150.4
[M+HCOO]- 309.16788 173.6
[M+CH3COO]- 323.18353 199.7
[M+Na-2H]- 285.14435 158.2
[M]+ 264.16913 157.8
[M]- 264.17023 157.8
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.