CID 140799118

2114341-28-3

Structural Information

Molecular Formula
C19H29BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O[C@H]3CCN(C3)CCCF
InChI
InChI=1S/C19H29BFNO3/c1-18(2)19(3,4)25-20(24-18)15-6-8-16(9-7-15)23-17-10-13-22(14-17)12-5-11-21/h6-9,17H,5,10-14H2,1-4H3/t17-/m0/s1
InChIKey
ZLXABOVOCSRKAL-KRWDZBQOSA-N
Compound name
(3S)-1-(3-fluoropropyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

349.22244 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22972 183.8
[M+Na]+ 372.21166 193.5
[M+NH4]+ 367.25626 193.0
[M+K]+ 388.18560 187.5
[M-H]- 348.21516 188.6
[M+Na-2H]- 370.19711 189.3
[M]+ 349.22189 186.7
[M]- 349.22299 186.7
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

patents stripe