CID 11995507

918529-97-2

Structural Information

Molecular Formula
C8H4Br3N
SMILES
C1=CC2=C(C=C1Br)C(=C(N2)Br)Br
InChI
InChI=1S/C8H4Br3N/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,12H
InChIKey
KUPJVNCDFREPQN-UHFFFAOYSA-N
Compound name
2,3,5-tribromo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.7894 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.79668 138.8
[M+Na]+ 373.77862 148.7
[M-H]- 349.78212 144.2
[M+NH4]+ 368.82322 154.9
[M+K]+ 389.75256 133.7
[M+H-H2O]+ 333.78666 154.6
[M+HCOO]- 395.78760 149.6
[M+CH3COO]- 409.80325 150.9
[M+Na-2H]- 371.76407 145.1
[M]+ 350.78885 179.9
[M]- 350.78995 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.