CID 138987291

2801717-85-9

Structural Information

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

0
Patents

262.11005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11733 146.9
[M+Na]+ 285.09927 157.9
[M-H]- 261.10277 149.5
[M+NH4]+ 280.14387 166.4
[M+K]+ 301.07321 158.2
[M+H-H2O]+ 245.10731 140.3
[M+HCOO]- 307.10825 162.4
[M+CH3COO]- 321.12390 193.6
[M+Na-2H]- 283.08472 151.4
[M]+ 262.10950 146.7
[M]- 262.11060 146.7
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

No patent data available for this compound.