CID 132398476

4-fluoro-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C10H16BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)F
InChI
InChI=1S/C10H16BFN2O2/c1-9(2)10(3,4)16-11(15-9)8-7(12)6-13-14(8)5/h6H,1-5H3
InChIKey
NHDIMTDIBLALHW-UHFFFAOYSA-N
Compound name
4-fluoro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

226.12889 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13617 140.6
[M+Na]+ 249.11811 152.1
[M-H]- 225.12161 146.0
[M+NH4]+ 244.16271 161.9
[M+K]+ 265.09205 152.6
[M+H-H2O]+ 209.12615 135.4
[M+HCOO]- 271.12709 159.8
[M+CH3COO]- 285.14274 189.5
[M+Na-2H]- 247.10356 144.6
[M]+ 226.12834 143.8
[M]- 226.12944 143.8
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