CID 57497326

1186334-64-4

Structural Information

Molecular Formula
C13H16BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=C(C=C2)F
InChI
InChI=1S/C13H16BFN2O2/c1-12(2)13(3,4)19-14(18-12)9-5-6-10(15)11-8(9)7-16-17-11/h5-7H,1-4H3,(H,16,17)
InChIKey
RAQASWRRBFTDND-UHFFFAOYSA-N
Compound name
7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

262.12888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13616 155.2
[M+Na]+ 285.11810 167.8
[M+NH4]+ 280.16270 165.2
[M+K]+ 301.09204 162.6
[M-H]- 261.12160 158.5
[M+Na-2H]- 283.10355 161.7
[M]+ 262.12833 158.2
[M]- 262.12943 158.2
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