CID 2763292

352359-23-0

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)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChIKey
TZHYEXHDCFQZGG-UHFFFAOYSA-N
Compound name
[5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

279.10782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11510 161.4
[M+Na]+ 302.09704 171.0
[M+NH4]+ 297.14164 166.4
[M+K]+ 318.07098 169.9
[M-H]- 278.10054 158.4
[M+Na-2H]- 300.08249 163.5
[M]+ 279.10727 161.6
[M]- 279.10837 161.6
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