CID 70108914

Tert-butyl 5-bromo-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C13H14BrNO2
SMILES
CC(C)(C)OC(=O)C1=CC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)11-7-8-6-9(14)4-5-10(8)15-11/h4-7,15H,1-3H3
InChIKey
WUIWNDORCLOWBB-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

295.02078 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02806 160.7
[M+Na]+ 318.01000 163.4
[M+NH4]+ 313.05460 164.6
[M+K]+ 333.98394 165.4
[M-H]- 294.01350 159.6
[M+Na-2H]- 315.99545 162.3
[M]+ 295.02023 159.5
[M]- 295.02133 159.5
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