CID 146049207

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

Structural Information

Molecular Formula
C16H26BF2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)N3CCC(C3)(F)F
InChI
InChI=1S/C16H26BF2NO2/c1-14(2)15(3,4)22-17(21-14)12-5-7-13(8-6-12)20-10-9-16(18,19)11-20/h5,13H,6-11H2,1-4H3
InChIKey
GLXJAEFPTNASCA-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]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.20245 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.20973 165.9
[M+Na]+ 336.19167 173.4
[M-H]- 312.19517 172.9
[M+NH4]+ 331.23627 186.2
[M+K]+ 352.16561 172.4
[M+H-H2O]+ 296.19971 159.4
[M+HCOO]- 358.20065 179.0
[M+CH3COO]- 372.21630 204.3
[M+Na-2H]- 334.17712 165.5
[M]+ 313.20190 161.8
[M]- 313.20300 161.8
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.