CID 162625083

2246649-11-4

Structural Information

Molecular Formula
C12H17BF4N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(C(F)F)(F)F
InChI
InChI=1S/C12H17BF4N2O2/c1-10(2)11(3,4)21-13(20-10)8-5-18-19(6-8)7-12(16,17)9(14)15/h5-6,9H,7H2,1-4H3
InChIKey
HSKXJXLOMFIIDZ-UHFFFAOYSA-N
Compound name
1-(2,2,3,3-tetrafluoropropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.13193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13921 158.7
[M+Na]+ 331.12115 168.6
[M-H]- 307.12465 159.7
[M+NH4]+ 326.16575 176.1
[M+K]+ 347.09509 168.4
[M+H-H2O]+ 291.12919 151.0
[M+HCOO]- 353.13013 171.5
[M+CH3COO]- 367.14578 203.7
[M+Na-2H]- 329.10660 160.5
[M]+ 308.13138 157.5
[M]- 308.13248 157.5
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.