CID 44118246

7-fluoro-1h-indole-2-boronic acid, n-boc protected

Structural Information

Molecular Formula
C13H15BFNO4
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C(=CC=C2)F)(O)O
InChI
InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10(14(18)19)7-8-5-4-6-9(15)11(8)16/h4-7,18-19H,1-3H3
InChIKey
AHFAZIPJGLAFSE-UHFFFAOYSA-N
Compound name
[7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

279.10782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11510 160.2
[M+Na]+ 302.09704 169.7
[M-H]- 278.10054 160.7
[M+NH4]+ 297.14164 177.2
[M+K]+ 318.07098 167.0
[M+H-H2O]+ 262.10508 154.1
[M+HCOO]- 324.10602 177.3
[M+CH3COO]- 338.12167 194.3
[M+Na-2H]- 300.08249 162.8
[M]+ 279.10727 162.8
[M]- 279.10837 162.8
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

patents stripe