CID 53216768

960067-33-8

Structural Information

Molecular Formula
C13H17BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(F)F
InChI
InChI=1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8-10(9)17-11(15)16/h5-8,11H,1-4H3
InChIKey
ZIBYFIJKYIKOEX-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

270.12387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13115 161.8
[M+Na]+ 293.11309 171.9
[M+NH4]+ 288.15769 170.8
[M+K]+ 309.08703 165.3
[M-H]- 269.11659 164.1
[M+Na-2H]- 291.09854 167.5
[M]+ 270.12332 164.0
[M]- 270.12442 164.0
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