CID 165941066

1-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazole

Structural Information

Molecular Formula
C14H17BF2N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(N=C3)C(F)F
InChI
InChI=1S/C14H17BF2N2O2/c1-13(2)14(3,4)21-15(20-13)10-5-6-11-9(7-10)8-18-19(11)12(16)17/h5-8,12H,1-4H3
InChIKey
ZNYUNCRBQXFCDY-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1351 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14238 159.5
[M+Na]+ 317.12432 171.7
[M-H]- 293.12782 164.7
[M+NH4]+ 312.16892 178.9
[M+K]+ 333.09826 170.2
[M+H-H2O]+ 277.13236 152.2
[M+HCOO]- 339.13330 176.5
[M+CH3COO]- 353.14895 172.7
[M+Na-2H]- 315.10977 162.3
[M]+ 294.13455 162.7
[M]- 294.13565 162.7
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

No patent data available for this compound.