CID 72220873

2377606-89-6

Structural Information

Molecular Formula
C14H18BBrN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C3=C2C=C(C=C3)Br)C
InChI
InChI=1S/C14H18BBrN2O2/c1-13(2)14(3,4)20-15(19-13)12-10-8-9(16)6-7-11(10)18(5)17-12/h6-8H,1-5H3
InChIKey
XLLMZHRTHXSWQJ-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-3-(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

336.06448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07176 164.1
[M+Na]+ 359.05370 179.9
[M-H]- 335.05720 174.6
[M+NH4]+ 354.09830 186.0
[M+K]+ 375.02764 171.2
[M+H-H2O]+ 319.06174 165.5
[M+HCOO]- 381.06268 182.2
[M+CH3COO]- 395.07833 180.0
[M+Na-2H]- 357.03915 169.6
[M]+ 336.06393 188.9
[M]- 336.06503 188.9
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.