CID 146157884

1983153-03-2

Structural Information

Molecular Formula
C9H14BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)F
InChI
InChI=1S/C9H14BFN2O2/c1-8(2)9(3,4)15-10(14-8)6-5-12-13-7(6)11/h5H,1-4H3,(H,12,13)
InChIKey
FUFLRCCNGTZOCT-UHFFFAOYSA-N
Compound name
5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

212.11324 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12052 138.4
[M+Na]+ 235.10246 148.9
[M-H]- 211.10596 142.2
[M+NH4]+ 230.14706 159.2
[M+K]+ 251.07640 148.8
[M+H-H2O]+ 195.11050 133.1
[M+HCOO]- 257.11144 156.4
[M+CH3COO]- 271.12709 182.8
[M+Na-2H]- 233.08791 142.8
[M]+ 212.11269 138.9
[M]- 212.11379 138.9
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