CID 72218951

1939174-70-5

Structural Information

Molecular Formula
C13H16BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NNC(=C3C=C2)Cl
InChI
InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)8-5-6-9-10(7-8)16-17-11(9)15/h5-7H,1-4H3,(H,16,17)
InChIKey
PZHDGTURIRESNJ-UHFFFAOYSA-N
Compound name
3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.09933 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10661 157.2
[M+Na]+ 301.08855 170.2
[M-H]- 277.09205 163.5
[M+NH4]+ 296.13315 177.5
[M+K]+ 317.06249 166.7
[M+H-H2O]+ 261.09659 152.0
[M+HCOO]- 323.09753 171.4
[M+CH3COO]- 337.11318 170.8
[M+Na-2H]- 299.07400 161.7
[M]+ 278.09878 162.7
[M]- 278.09988 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.