CID 133080640

2173194-53-9

Structural Information

Molecular Formula
C10H15BF2N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C(F)F
InChI
InChI=1S/C10H15BF2N2O2/c1-9(2)10(3,4)17-11(16-9)7-5-6-15(14-7)8(12)13/h5-6,8H,1-4H3
InChIKey
CBGGJAGNGSVKHS-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

244.11946 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12674 144.8
[M+Na]+ 267.10868 155.1
[M-H]- 243.11218 148.5
[M+NH4]+ 262.15328 164.9
[M+K]+ 283.08262 155.7
[M+H-H2O]+ 227.11672 138.4
[M+HCOO]- 289.11766 161.9
[M+CH3COO]- 303.13331 191.9
[M+Na-2H]- 265.09413 147.5
[M]+ 244.11891 145.8
[M]- 244.12001 145.8
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