CID 56923638

1185836-97-8

Structural Information

Molecular Formula
C16H22BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)OCC3CC3
InChI
InChI=1S/C16H22BFO3/c1-15(2)16(3,4)21-17(20-15)13-9-12(18)7-8-14(13)19-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3
InChIKey
NHLRLZUBOLMQLU-UHFFFAOYSA-N
Compound name
2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

292.1646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17188 169.8
[M+Na]+ 315.15382 182.9
[M+NH4]+ 310.19842 180.6
[M+K]+ 331.12776 176.6
[M-H]- 291.15732 182.5
[M+Na-2H]- 313.13927 179.5
[M]+ 292.16405 176.8
[M]- 292.16515 176.8
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