CID 22273592

1-[4-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one

Structural Information

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

8
Patents

264.1333 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14058 152.5
[M+Na]+ 287.12252 162.5
[M-H]- 263.12602 160.3
[M+NH4]+ 282.16712 173.1
[M+K]+ 303.09646 162.6
[M+H-H2O]+ 247.13056 147.8
[M+HCOO]- 309.13150 171.6
[M+CH3COO]- 323.14715 198.0
[M+Na-2H]- 285.10797 156.2
[M]+ 264.13275 155.5
[M]- 264.13385 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