CID 165993848

2-[3-(difluoromethoxy)-4,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H15BF4O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)OC(F)F
InChI
InChI=1S/C13H15BF4O3/c1-12(2)13(3,4)21-14(20-12)7-5-8(15)10(16)9(6-7)19-11(17)18/h5-6,11H,1-4H3
InChIKey
SHIHNIYOCQFWMT-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethoxy)-4,5-difluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11232 158.4
[M+Na]+ 329.09426 169.7
[M-H]- 305.09776 162.6
[M+NH4]+ 324.13886 177.4
[M+K]+ 345.06820 169.3
[M+H-H2O]+ 289.10230 151.2
[M+HCOO]- 351.10324 174.4
[M+CH3COO]- 365.11889 205.3
[M+Na-2H]- 327.07971 160.2
[M]+ 306.10449 158.6
[M]- 306.10559 158.6
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

No patent data available for this compound.