CID 66802112

1351499-39-2

Structural Information

Molecular Formula
C14H18BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)C)F
InChI
InChI=1S/C14H18BFO3/c1-9(17)11-7-6-10(8-12(11)16)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChIKey
UDNSDVWJDRQRHR-UHFFFAOYSA-N
Compound name
1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

264.1333 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.140576 152.5
[M+Na]+ 287.122518 162.5
[M-H]- 263.126024 160.3
[M+NH4]+ 282.167123 173.1
[M+K]+ 303.096458 162.6
[M+H-H2O]+ 247.130560 147.8
[M+HCOO]- 309.131501 171.6
[M+CH3COO]- 323.147151 198.0
[M+Na-2H]- 285.107966 156.2
[M]+ 264.13275142 155.5
[M]- 264.13384858 155.5
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