CID 58452361

1310950-03-8

Structural Information

Molecular Formula
C14H19BF2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC(F)F)OC
InChI
InChI=1S/C14H19BF2O4/c1-13(2)14(3,4)21-15(20-13)9-6-7-10(19-12(16)17)11(8-9)18-5/h6-8,12H,1-5H3
InChIKey
YBYFMTPDSOGSFA-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

300.13446 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14174 160.5
[M+Na]+ 323.12368 170.2
[M-H]- 299.12718 166.8
[M+NH4]+ 318.16828 179.5
[M+K]+ 339.09762 171.0
[M+H-H2O]+ 283.13172 154.6
[M+HCOO]- 345.13266 178.5
[M+CH3COO]- 359.14831 203.6
[M+Na-2H]- 321.10913 163.7
[M]+ 300.13391 164.5
[M]- 300.13501 164.5
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