CID 155937630

2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-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)C3(CCO3)C)F
InChI
InChI=1S/C16H22BFO3/c1-14(2)15(3,4)21-17(20-14)12-7-6-11(10-13(12)18)16(5)8-9-19-16/h6-7,10H,8-9H2,1-5H3
InChIKey
SYKSUKCMMJTOHR-UHFFFAOYSA-N
Compound name
2-[2-fluoro-4-(2-methyloxetan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17188 155.1
[M+Na]+ 315.15382 163.4
[M-H]- 291.15732 166.4
[M+NH4]+ 310.19842 168.7
[M+K]+ 331.12776 167.1
[M+H-H2O]+ 275.16186 147.0
[M+HCOO]- 337.16280 171.8
[M+CH3COO]- 351.17845 205.0
[M+Na-2H]- 313.13927 160.5
[M]+ 292.16405 166.8
[M]- 292.16515 166.8
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

No patent data available for this compound.