CID 57346402

1046831-98-4

Structural Information

Molecular Formula
C10H14BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(F)(F)F
InChI
InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)7-5-15-16(6-7)10(12,13)14/h5-6H,1-4H3
InChIKey
XSEKRLJMLMNHNU-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

262.11005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11733 159.5
[M+Na]+ 285.09927 167.1
[M+NH4]+ 280.14387 166.2
[M+K]+ 301.07321 163.9
[M-H]- 261.10277 157.8
[M+Na-2H]- 283.08472 163.1
[M]+ 262.10950 160.1
[M]- 262.11060 160.1
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