CID 90485993

2246701-92-6

Structural Information

Molecular Formula
C11H18BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)CC)F
InChI
InChI=1S/C11H18BFN2O2/c1-6-15-9(13)8(7-14-15)12-16-10(2,3)11(4,5)17-12/h7H,6H2,1-5H3
InChIKey
HFAUSIZNCJJDAX-UHFFFAOYSA-N
Compound name
1-ethyl-5-fluoro-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

0
Patents

240.14453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15181 145.2
[M+Na]+ 263.13375 156.3
[M-H]- 239.13725 150.4
[M+NH4]+ 258.17835 166.0
[M+K]+ 279.10769 156.6
[M+H-H2O]+ 223.14179 139.9
[M+HCOO]- 285.14273 164.1
[M+CH3COO]- 299.15838 192.5
[M+Na-2H]- 261.11920 148.7
[M]+ 240.14398 148.7
[M]- 240.14508 148.7
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

No patent data available for this compound.