CID 86810446

1449135-41-4

Structural Information

Molecular Formula
C17H25BFNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)NC(=O)OC(C)(C)C)F
InChI
InChI=1S/C17H25BFNO4/c1-15(2,3)22-14(21)20-11-8-9-13(19)12(10-11)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21)
InChIKey
JWYMEKZRPHNWGS-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19335 177.2
[M+Na]+ 360.17529 186.1
[M+NH4]+ 355.21989 185.1
[M+K]+ 376.14923 181.0
[M-H]- 336.17879 180.0
[M+Na-2H]- 358.16074 182.4
[M]+ 337.18552 179.4
[M]- 337.18662 179.4
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.