CID 223668

2-amino-1,3-dibromoanthraquinone

Structural Information

Molecular Formula
C14H7Br2NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)Br)N)Br
InChI
InChI=1S/C14H7Br2NO2/c15-9-5-8-10(11(16)12(9)17)14(19)7-4-2-1-3-6(7)13(8)18/h1-5H,17H2
InChIKey
ZDNLBGNACWKHAX-UHFFFAOYSA-N
Compound name
2-amino-1,3-dibromoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

378.88434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.89162 158.6
[M+Na]+ 401.87356 170.1
[M-H]- 377.87706 166.5
[M+NH4]+ 396.91816 176.4
[M+K]+ 417.84750 154.3
[M+H-H2O]+ 361.88160 165.7
[M+HCOO]- 423.88254 172.7
[M+CH3COO]- 437.89819 171.7
[M+Na-2H]- 399.85901 164.5
[M]+ 378.88379 191.8
[M]- 378.88489 191.8
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