CID 165693801

6,6-difluoro-3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)spiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C14H21BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC(=O)C23CC(C3)(F)F
InChI
InChI=1S/C14H21BF2O3/c1-11(2)12(3,4)20-15(19-11)6-9-5-10(18)13(9)7-14(16,17)8-13/h9H,5-8H2,1-4H3
InChIKey
YDRXDXPBJLMODF-UHFFFAOYSA-N
Compound name
6,6-difluoro-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]spiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.15518 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16246 147.4
[M+Na]+ 309.14440 154.2
[M-H]- 285.14790 155.6
[M+NH4]+ 304.18900 157.7
[M+K]+ 325.11834 158.4
[M+H-H2O]+ 269.15244 139.0
[M+HCOO]- 331.15338 160.7
[M+CH3COO]- 345.16903 210.8
[M+Na-2H]- 307.12985 151.9
[M]+ 286.15463 164.1
[M]- 286.15573 164.1
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.