CID 146049475

3,3-difluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)azetidine

Structural Information

Molecular Formula
C15H24BF2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)N3CC(C3)(F)F
InChI
InChI=1S/C15H24BF2NO2/c1-13(2)14(3,4)21-16(20-13)11-5-7-12(8-6-11)19-9-15(17,18)10-19/h5,12H,6-10H2,1-4H3
InChIKey
NIWKCQJZAUJKIU-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18683 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19411 160.4
[M+Na]+ 322.17605 167.2
[M-H]- 298.17955 167.6
[M+NH4]+ 317.22065 173.4
[M+K]+ 338.14999 169.4
[M+H-H2O]+ 282.18409 150.1
[M+HCOO]- 344.18503 173.0
[M+CH3COO]- 358.20068 205.6
[M+Na-2H]- 320.16150 162.4
[M]+ 299.18628 166.3
[M]- 299.18738 166.3
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.