CID 124704657

Rac-2-[(1r,2r)-2-fluorocyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C9H16BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2F
InChI
InChI=1S/C9H16BFO2/c1-8(2)9(3,4)13-10(12-8)6-5-7(6)11/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKey
POMLRTZOASUWBX-RNFRBKRXSA-N
Compound name
2-[(1R,2R)-2-fluorocyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.12274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13002 131.9
[M+Na]+ 209.11196 143.0
[M-H]- 185.11546 140.4
[M+NH4]+ 204.15656 150.6
[M+K]+ 225.08590 144.8
[M+H-H2O]+ 169.12000 128.1
[M+HCOO]- 231.12094 150.7
[M+CH3COO]- 245.13659 185.9
[M+Na-2H]- 207.09741 138.4
[M]+ 186.12219 136.4
[M]- 186.12329 136.4
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.