CID 123433327

Tert-butyl 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Structural Information

Molecular Formula
C17H24BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H24BFO4/c1-15(2,3)21-14(20)12-10-11(8-9-13(12)19)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3
InChIKey
GZQCKPFBGSXMEV-UHFFFAOYSA-N
Compound name
tert-butyl 2-fluoro-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

4
Patents

322.17517 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18245 167.8
[M+Na]+ 345.16439 177.0
[M-H]- 321.16789 175.4
[M+NH4]+ 340.20899 186.2
[M+K]+ 361.13833 177.7
[M+H-H2O]+ 305.17243 163.5
[M+HCOO]- 367.17337 184.6
[M+CH3COO]- 381.18902 208.3
[M+Na-2H]- 343.14984 171.6
[M]+ 322.17462 172.8
[M]- 322.17572 172.8
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