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

4
Patents

288.14453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15181 158.9
[M+Na]+ 311.13375 169.8
[M-H]- 287.13725 167.4
[M+NH4]+ 306.17835 177.3
[M+K]+ 327.10769 168.6
[M+H-H2O]+ 271.14179 151.6
[M+HCOO]- 333.14273 178.0
[M+CH3COO]- 347.15838 172.3
[M+Na-2H]- 309.11920 161.5
[M]+ 288.14398 161.4
[M]- 288.14508 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