CID 155822145

2-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H22BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C3(CC3)C)F
InChI
InChI=1S/C16H22BFO2/c1-14(2)15(3,4)20-17(19-14)11-6-7-12(13(18)10-11)16(5)8-9-16/h6-7,10H,8-9H2,1-5H3
InChIKey
BVXQPTJHODSBFZ-UHFFFAOYSA-N
Compound name
2-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17696 151.9
[M+Na]+ 299.15890 163.3
[M-H]- 275.16240 163.4
[M+NH4]+ 294.20350 169.0
[M+K]+ 315.13284 164.5
[M+H-H2O]+ 259.16694 147.5
[M+HCOO]- 321.16788 169.9
[M+CH3COO]- 335.18353 202.6
[M+Na-2H]- 297.14435 157.4
[M]+ 276.16913 157.5
[M]- 276.17023 157.5
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

No patent data available for this compound.