CID 6681

1-amino-2,4-dibromoanthraquinone

Structural Information

Molecular Formula
C14H7Br2NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N
InChI
InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2
InChIKey
ZINRVIQBCHAZMM-UHFFFAOYSA-N
Compound name
1-amino-2,4-dibromoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

371
Patents

378.88434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.89162 159.2
[M+Na]+ 401.87356 155.5
[M+NH4]+ 396.91816 161.5
[M+K]+ 417.84750 161.1
[M-H]- 377.87706 160.9
[M+Na-2H]- 399.85901 160.2
[M]+ 378.88379 158.1
[M]- 378.88489 158.1
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

patents stripe