CID 45933666

1218790-40-9

Structural Information

Molecular Formula
C10H14BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C(F)(F)F
InChI
InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)
InChIKey
WHYPQJYBTNZKBY-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

262.11005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11733 159.3
[M+Na]+ 285.09927 166.4
[M+NH4]+ 280.14387 165.7
[M+K]+ 301.07321 163.5
[M-H]- 261.10277 157.1
[M+Na-2H]- 283.08472 162.4
[M]+ 262.10950 159.6
[M]- 262.11060 159.6
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