CID 46738012

1218790-53-4

Structural Information

Molecular Formula
C11H16BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C(F)(F)F)C
InChI
InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)7-6-17(5)16-8(7)11(13,14)15/h6H,1-5H3
InChIKey
MUZZCKPFJNQCIH-UHFFFAOYSA-N
Compound name
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

276.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13298 150.6
[M+Na]+ 299.11492 162.1
[M-H]- 275.11842 153.5
[M+NH4]+ 294.15952 169.9
[M+K]+ 315.08886 162.1
[M+H-H2O]+ 259.12296 144.3
[M+HCOO]- 321.12390 165.8
[M+CH3COO]- 335.13955 197.7
[M+Na-2H]- 297.10037 154.1
[M]+ 276.12515 151.2
[M]- 276.12625 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe