CID 90419676

1628214-30-1

Structural Information

Molecular Formula
C12H20BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)C(C)C)F
InChI
InChI=1S/C12H20BFN2O2/c1-8(2)16-10(14)9(7-15-16)13-17-11(3,4)12(5,6)18-13/h7-8H,1-6H3
InChIKey
WXJFIYCXYOQETF-UHFFFAOYSA-N
Compound name
5-fluoro-1-propan-2-yl-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

10
Patents

254.16019 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16747 150.0
[M+Na]+ 277.14941 160.4
[M-H]- 253.15291 155.2
[M+NH4]+ 272.19401 170.1
[M+K]+ 293.12335 160.9
[M+H-H2O]+ 237.15745 144.8
[M+HCOO]- 299.15839 167.6
[M+CH3COO]- 313.17404 196.4
[M+Na-2H]- 275.13486 151.8
[M]+ 254.15964 153.3
[M]- 254.16074 153.3
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

patents stripe