CID 11684247

4-(2-aminoethyl)-3,5,6-tribromobenzene-1,2-diol hydrobromide

Structural Information

Molecular Formula
C8H8Br3NO2
SMILES
C(CN)C1=C(C(=C(C(=C1Br)Br)O)O)Br
InChI
InChI=1S/C8H8Br3NO2/c9-4-3(1-2-12)5(10)7(13)8(14)6(4)11/h13-14H,1-2,12H2
InChIKey
LITLOAIUCMHLLP-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-3,5,6-tribromobenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.81052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.81780 146.9
[M+Na]+ 409.79974 154.3
[M-H]- 385.80324 150.5
[M+NH4]+ 404.84434 159.8
[M+K]+ 425.77368 137.4
[M+H-H2O]+ 369.80778 159.7
[M+HCOO]- 431.80872 155.5
[M+CH3COO]- 445.82437 222.4
[M+Na-2H]- 407.78519 149.7
[M]+ 386.80997 185.9
[M]- 386.81107 185.9
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.