CID 170913505

Ethyl 2-fluoro-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C18H24BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3(CC3C(=O)OCC)F
InChI
InChI=1S/C18H24BFO4/c1-6-22-15(21)14-11-18(14,20)12-8-7-9-13(10-12)19-23-16(2,3)17(4,5)24-19/h7-10,14H,6,11H2,1-5H3
InChIKey
ZTWMFDRDVWJUEY-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17517 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18245 166.7
[M+Na]+ 357.16439 177.0
[M-H]- 333.16789 177.8
[M+NH4]+ 352.20899 181.3
[M+K]+ 373.13833 178.5
[M+H-H2O]+ 317.17243 162.4
[M+HCOO]- 379.17337 183.5
[M+CH3COO]- 393.18902 211.7
[M+Na-2H]- 355.14984 170.4
[M]+ 334.17462 174.6
[M]- 334.17572 174.6
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.