CID 46739443

1218791-19-5

Structural Information

Molecular Formula
C14H17BF2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)F)C(=O)OC
InChI
InChI=1S/C14H17BF2O4/c1-13(2)14(3,4)21-15(20-13)9-6-8(12(18)19-5)7-10(16)11(9)17/h6-7H,1-5H3
InChIKey
FDHPBQIOPPTJPM-UHFFFAOYSA-N
Compound name
methyl 3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1188 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12608 168.2
[M+Na]+ 321.10802 178.4
[M+NH4]+ 316.15262 176.2
[M+K]+ 337.08196 172.4
[M-H]- 297.11152 169.8
[M+Na-2H]- 319.09347 172.8
[M]+ 298.11825 170.3
[M]- 298.11935 170.3
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.