CID 45361779

5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C13H16BBrN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC3=C2C=C(C=N3)Br
InChI
InChI=1S/C13H16BBrN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17)
InChIKey
HBAJAQXOPJTWPI-UHFFFAOYSA-N
Compound name
5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

322.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.05611 170.8
[M+Na]+ 345.03805 174.4
[M+NH4]+ 340.08265 177.3
[M+K]+ 361.01199 174.6
[M-H]- 321.04155 173.5
[M+Na-2H]- 343.02350 173.7
[M]+ 322.04828 171.3
[M]- 322.04938 171.3
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