CID 126970371

1446481-36-2

Structural Information

Molecular Formula
C10H16BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CF
InChI
InChI=1S/C10H16BFN2O2/c1-9(2)10(3,4)16-11(15-9)8-5-13-14(6-8)7-12/h5-6H,7H2,1-4H3
InChIKey
KIPAKHURBLDQCM-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-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

226.12889 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13617 141.6
[M+Na]+ 249.11811 152.2
[M-H]- 225.12161 146.6
[M+NH4]+ 244.16271 162.6
[M+K]+ 265.09205 152.7
[M+H-H2O]+ 209.12615 135.9
[M+HCOO]- 271.12709 160.8
[M+CH3COO]- 285.14274 188.3
[M+Na-2H]- 247.10356 146.1
[M]+ 226.12834 144.3
[M]- 226.12944 144.3
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.