CID 86713877

1586046-21-0

Structural Information

Molecular Formula
C11H18BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C)C)F
InChI
InChI=1S/C11H18BFN2O2/c1-7-8(9(13)15(6)14-7)12-16-10(2,3)11(4,5)17-12/h1-6H3
InChIKey
NZODVFZYLWPBBI-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

240.14453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15181 144.2
[M+Na]+ 263.13375 156.1
[M-H]- 239.13725 149.8
[M+NH4]+ 258.17835 165.2
[M+K]+ 279.10769 156.4
[M+H-H2O]+ 223.14179 139.3
[M+HCOO]- 285.14273 163.0
[M+CH3COO]- 299.15838 193.7
[M+Na-2H]- 261.11920 147.1
[M]+ 240.14398 148.1
[M]- 240.14508 148.1
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