CID 72213448

1573171-39-7

Structural Information

Molecular Formula

C₁₀H₁₄BF₃N₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2)C(F)(F)F

InChI

InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)7-5-6(15-16-7)10(12,13)14/h5H,1-4H3,(H,15,16)

InChIKey

DZWGVYSZOABSCF-UHFFFAOYSA-N

Compound name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 262.11005 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.117326	148.0
[M+Na]+	285.099268	158.6
[M-H]-	261.102774	149.3
[M+NH4]+	280.143873	166.8
[M+K]+	301.073208	158.0
[M+H-H2O]+	245.107310	141.6
[M+HCOO]-	307.108251	162.0
[M+CH3COO]-	321.123901	191.1
[M+Na-2H]-	283.084716	152.0
[M]+	262.10950142	146.0
[M]-	262.11059858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe