CID 56923638

2-[2-(cyclopropylmethoxy)-5-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=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

29
Patents

292.1646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17188 158.5
[M+Na]+ 315.15382 169.0
[M-H]- 291.15732 169.6
[M+NH4]+ 310.19842 173.0
[M+K]+ 331.12776 169.5
[M+H-H2O]+ 275.16186 153.0
[M+HCOO]- 337.16280 177.0
[M+CH3COO]- 351.17845 204.7
[M+Na-2H]- 313.13927 162.7
[M]+ 292.16405 164.9
[M]- 292.16515 164.9
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