CID 139022780

7-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2h-indazole hydrochloride

Structural Information

Molecular Formula
C14H18BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN(N=C3C(=C2)F)C
InChI
InChI=1S/C14H18BFN2O2/c1-13(2)14(3,4)20-15(19-13)10-6-9-8-18(5)17-12(9)11(16)7-10/h6-8H,1-5H3
InChIKey
UIBMYRSDZCZZJL-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

276.14453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15181 155.5
[M+Na]+ 299.13375 168.9
[M-H]- 275.13725 162.4
[M+NH4]+ 294.17835 176.1
[M+K]+ 315.10769 167.3
[M+H-H2O]+ 259.14179 149.3
[M+HCOO]- 321.14273 174.6
[M+CH3COO]- 335.15838 169.8
[M+Na-2H]- 297.11920 159.5
[M]+ 276.14398 160.8
[M]- 276.14508 160.8
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