CID 90043209

2-(4-cyclobutoxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H22BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC3CCC3)F
InChI
InChI=1S/C16H22BFO3/c1-15(2)16(3,4)21-17(20-15)13-9-8-12(10-14(13)18)19-11-6-5-7-11/h8-11H,5-7H2,1-4H3
InChIKey
URIHCLJWKSISJL-UHFFFAOYSA-N
Compound name
2-(4-cyclobutyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.1646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17188 157.8
[M+Na]+ 315.15382 165.1
[M-H]- 291.15732 168.1
[M+NH4]+ 310.19842 170.6
[M+K]+ 331.12776 167.6
[M+H-H2O]+ 275.16186 148.2
[M+HCOO]- 337.16280 175.4
[M+CH3COO]- 351.17845 204.8
[M+Na-2H]- 313.13927 161.0
[M]+ 292.16405 168.5
[M]- 292.16515 168.5
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