CID 58073088

1321613-00-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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

literature stripe

Patent stripe

patents stripe