CID 168448358

2867598-03-4

Structural Information

Molecular Formula
C13H25B2FO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(B2OC(C(O2)(C)C)(C)C)F
InChI
InChI=1S/C13H25B2FO4/c1-10(2)11(3,4)18-14(17-10)9(16)15-19-12(5,6)13(7,8)20-15/h9H,1-8H3
InChIKey
KHUSTIQUTLEVTH-UHFFFAOYSA-N
Compound name
2-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1923 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.19958 148.6
[M+Na]+ 309.18152 158.0
[M-H]- 285.18502 157.1
[M+NH4]+ 304.22612 171.0
[M+K]+ 325.15546 161.7
[M+H-H2O]+ 269.18956 148.6
[M+HCOO]- 331.19050 163.5
[M+CH3COO]- 345.20615 202.2
[M+Na-2H]- 307.16697 154.3
[M]+ 286.19175 153.9
[M]- 286.19285 153.9
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.