CID 45933684

1204334-20-2

Structural Information

Molecular Formula
C11H13BF6N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H13BF6N2O2/c1-8(2)9(3,4)22-12(21-8)5-6(10(13,14)15)19-20-7(5)11(16,17)18/h1-4H3,(H,19,20)
InChIKey
CLZOYAKINXVSHM-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-bis(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.0974 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10468 159.7
[M+Na]+ 353.08662 171.3
[M-H]- 329.09012 157.7
[M+NH4]+ 348.13122 175.9
[M+K]+ 369.06056 169.8
[M+H-H2O]+ 313.09466 151.8
[M+HCOO]- 375.09560 168.7
[M+CH3COO]- 389.11125 203.6
[M+Na-2H]- 351.07207 162.5
[M]+ 330.09685 154.2
[M]- 330.09795 154.2
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