CID 72221149

1416367-00-4

Structural Information

Molecular Formula
C13H18BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)OC
InChI
InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)9-6-10(15)8-11(7-9)16-5/h6-8H,1-5H3
InChIKey
DGHRKRRFVKPHDQ-UHFFFAOYSA-N
Compound name
2-(3-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

252.1333 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14058 149.1
[M+Na]+ 275.12252 159.6
[M-H]- 251.12602 157.0
[M+NH4]+ 270.16712 170.3
[M+K]+ 291.09646 160.0
[M+H-H2O]+ 235.13056 144.3
[M+HCOO]- 297.13150 169.4
[M+CH3COO]- 311.14715 194.9
[M+Na-2H]- 273.10797 154.5
[M]+ 252.13275 153.1
[M]- 252.13385 153.1
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