CID 60135806

890839-37-9

Structural Information

Molecular Formula
C13H17BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)OC)F
InChI
InChI=1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)8-6-9(15)11(17-5)10(16)7-8/h6-7H,1-5H3
InChIKey
LVDNSBZUAAXPPZ-UHFFFAOYSA-N
Compound name
2-(3,5-difluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

270.12387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13115 151.3
[M+Na]+ 293.11309 162.7
[M-H]- 269.11659 158.2
[M+NH4]+ 288.15769 172.0
[M+K]+ 309.08703 162.7
[M+H-H2O]+ 253.12113 145.8
[M+HCOO]- 315.12207 170.5
[M+CH3COO]- 329.13772 198.8
[M+Na-2H]- 291.09854 155.5
[M]+ 270.12332 154.5
[M]- 270.12442 154.5
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

patents stripe