CID 108817

59722-76-8

Structural Information

Molecular Formula
C20H12BrNO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4=CC=C(C=C4)Br)N
InChI
InChI=1S/C20H12BrNO4/c21-10-5-7-11(8-6-10)26-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2
InChIKey
NXLZYWCPIVGZKC-UHFFFAOYSA-N
Compound name
1-amino-2-(4-bromophenoxy)-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

408.99496 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.00224 187.1
[M+Na]+ 431.98418 198.9
[M-H]- 407.98768 196.5
[M+NH4]+ 427.02878 202.2
[M+K]+ 447.95812 186.5
[M+H-H2O]+ 391.99222 184.4
[M+HCOO]- 453.99316 204.1
[M+CH3COO]- 468.00881 199.1
[M+Na-2H]- 429.96963 191.5
[M]+ 408.99441 205.7
[M]- 408.99551 205.7
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