CID 67086953

1293284-58-8

Structural Information

Molecular Formula
C14H18BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)C(=O)OC
InChI
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)11-7-6-9(16)8-10(11)12(17)18-5/h6-8H,1-5H3
InChIKey
DCNAAOVAUVQRQD-UHFFFAOYSA-N
Compound name
methyl 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

280.1282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.135476 155.8
[M+Na]+ 303.117418 165.8
[M-H]- 279.120924 163.7
[M+NH4]+ 298.162023 175.8
[M+K]+ 319.091358 166.5
[M+H-H2O]+ 263.125460 151.1
[M+HCOO]- 325.126401 175.1
[M+CH3COO]- 339.142051 199.5
[M+Na-2H]- 301.102866 159.7
[M]+ 280.12765142 160.2
[M]- 280.12874858 160.2
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