CID 469387

155669-75-3

Structural Information

Molecular Formula
C10H5Br2NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)NBr
InChI
InChI=1S/C10H5Br2NO2/c11-7-8(13-12)10(15)6-4-2-1-3-5(6)9(7)14/h1-4,13H
InChIKey
GSIRMKHRILLLOA-UHFFFAOYSA-N
Compound name
2-bromo-3-(bromoamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.8687 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.87598 144.1
[M+Na]+ 351.85792 155.3
[M-H]- 327.86142 151.7
[M+NH4]+ 346.90252 162.9
[M+K]+ 367.83186 139.7
[M+H-H2O]+ 311.86596 151.5
[M+HCOO]- 373.86690 160.2
[M+CH3COO]- 387.88255 209.5
[M+Na-2H]- 349.84337 151.6
[M]+ 328.86815 177.6
[M]- 328.86925 177.6
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.