CID 119031583

2195354-27-7

Structural Information

Molecular Formula
C15H18BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)C3=CC=CC=C3)F
InChI
InChI=1S/C15H18BFN2O2/c1-14(2)15(3,4)21-16(20-14)12-10-18-19(13(12)17)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKey
HKFKTWMBRFLERN-UHFFFAOYSA-N
Compound name
5-fluoro-1-phenyl-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

3
Patents

288.14453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.151806 158.9
[M+Na]+ 311.133748 169.8
[M-H]- 287.137254 167.4
[M+NH4]+ 306.178353 177.3
[M+K]+ 327.107688 168.6
[M+H-H2O]+ 271.141790 151.6
[M+HCOO]- 333.142731 178.0
[M+CH3COO]- 347.158381 172.3
[M+Na-2H]- 309.119196 161.5
[M]+ 288.14398142 161.4
[M]- 288.14507858 161.4
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