CID 175338

Einecs 277-120-7

Structural Information

Molecular Formula
C22H15Br2NO5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCOC4=C(C(=CC=C4)Br)Br)N
InChI
InChI=1S/C22H15Br2NO5/c23-13-6-3-7-15(19(13)24)29-8-9-30-16-10-14(26)17-18(20(16)25)22(28)12-5-2-1-4-11(12)21(17)27/h1-7,10,26H,8-9,25H2
InChIKey
FCALKKFJQIDADI-UHFFFAOYSA-N
Compound name
1-amino-2-[2-(2,3-dibromophenoxy)ethoxy]-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.9317 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.93898 194.5
[M+Na]+ 553.92092 202.9
[M-H]- 529.92442 202.8
[M+NH4]+ 548.96552 205.9
[M+K]+ 569.89486 188.4
[M+H-H2O]+ 513.92896 199.1
[M+HCOO]- 575.92990 205.7
[M+CH3COO]- 589.94555 238.8
[M+Na-2H]- 551.90637 196.8
[M]+ 530.93115 229.4
[M]- 530.93225 229.4
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.