CID 79016208

1417301-66-6

Structural Information

Molecular Formula
C13H18BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)F)C
InChI
InChI=1S/C13H18BFO2/c1-9-10(7-6-8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3
InChIKey
WKWHYYLQFKUDOT-UHFFFAOYSA-N
Compound name
2-(3-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

236.13838 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14566 145.8
[M+Na]+ 259.12760 156.4
[M-H]- 235.13110 153.7
[M+NH4]+ 254.17220 167.7
[M+K]+ 275.10154 156.2
[M+H-H2O]+ 219.13564 141.1
[M+HCOO]- 281.13658 165.9
[M+CH3COO]- 295.15223 192.8
[M+Na-2H]- 257.11305 151.0
[M]+ 236.13783 148.2
[M]- 236.13893 148.2
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