CID 2759005

754226-34-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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

literature stripe

Patent stripe

patents stripe