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 179.3
[M+Na]+ 372.21166 186.2
[M-H]- 348.21516 187.5
[M+NH4]+ 367.25626 196.2
[M+K]+ 388.18560 185.0
[M+H-H2O]+ 332.21970 172.4
[M+HCOO]- 394.22064 195.4
[M+CH3COO]- 408.23629 211.9
[M+Na-2H]- 370.19711 178.5
[M]+ 349.22189 181.1
[M]- 349.22299 181.1
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

patents stripe