CID 77230815

1353003-51-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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

No literature data available for this compound.

Patent stripe

patents stripe