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

20
Patents

262.11005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11733 148.0
[M+Na]+ 285.09927 158.6
[M-H]- 261.10277 149.3
[M+NH4]+ 280.14387 166.8
[M+K]+ 301.07321 158.0
[M+H-H2O]+ 245.10731 141.6
[M+HCOO]- 307.10825 162.0
[M+CH3COO]- 321.12390 191.1
[M+Na-2H]- 283.08472 152.0
[M]+ 262.10950 146.0
[M]- 262.11060 146.0
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