CID 53418952

1463054-13-8

Structural Information

Molecular Formula
C14H17BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)NC(=O)C3
InChI
InChI=1S/C14H17BFNO3/c1-13(2)14(3,4)20-15(19-13)9-5-8-6-11(18)17-12(8)10(16)7-9/h5,7H,6H2,1-4H3,(H,17,18)
InChIKey
ZYBYKEGJAYXQKM-UHFFFAOYSA-N
Compound name
7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

277.12854 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13582 156.8
[M+Na]+ 300.11776 167.9
[M-H]- 276.12126 163.0
[M+NH4]+ 295.16236 177.7
[M+K]+ 316.09170 165.8
[M+H-H2O]+ 260.12580 152.2
[M+HCOO]- 322.12674 173.1
[M+CH3COO]- 336.14239 170.0
[M+Na-2H]- 298.10321 159.3
[M]+ 277.12799 157.7
[M]- 277.12909 157.7
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