CID 89996195

1049730-40-6

Structural Information

Molecular Formula
C11H17BF2N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(F)F
InChI
InChI=1S/C11H17BF2N2O2/c1-10(2)11(3,4)18-12(17-10)8-5-15-16(6-8)7-9(13)14/h5-6,9H,7H2,1-4H3
InChIKey
VIJHBGGAAIINTO-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)-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

165
Patents

258.1351 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14238 149.4
[M+Na]+ 281.12432 159.3
[M-H]- 257.12782 153.0
[M+NH4]+ 276.16892 168.9
[M+K]+ 297.09826 159.6
[M+H-H2O]+ 241.13236 142.8
[M+HCOO]- 303.13330 166.2
[M+CH3COO]- 317.14895 194.8
[M+Na-2H]- 279.10977 151.6
[M]+ 258.13455 150.7
[M]- 258.13565 150.7
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

patents stripe