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

22
Patents

312.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.132976 163.3
[M+Na]+ 335.114918 175.9
[M-H]- 311.118424 166.1
[M+NH4]+ 330.159523 181.5
[M+K]+ 351.088858 173.2
[M+H-H2O]+ 295.122960 156.0
[M+HCOO]- 357.123901 177.2
[M+CH3COO]- 371.139551 201.4
[M+Na-2H]- 333.100366 167.5
[M]+ 312.12515142 163.7
[M]- 312.12624858 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