CID 68666071

1186334-80-4

Structural Information

Molecular Formula
C14H16BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)10-6-5-9(14(16,17)18)11-8(10)7-19-20-11/h5-7H,1-4H3,(H,19,20)
InChIKey
GRPZTCCRPPNGAZ-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

312.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13298 163.3
[M+Na]+ 335.11492 175.9
[M-H]- 311.11842 166.1
[M+NH4]+ 330.15952 181.5
[M+K]+ 351.08886 173.2
[M+H-H2O]+ 295.12296 156.0
[M+HCOO]- 357.12390 177.2
[M+CH3COO]- 371.13955 201.4
[M+Na-2H]- 333.10037 167.5
[M]+ 312.12515 163.7
[M]- 312.12625 163.7
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