CID 118673

34391-96-3

Structural Information

Molecular Formula
C20H12ClNO4
SMILES
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2Cl)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H12ClNO4/c21-15-19(25)14-13(16(22)20(15)26-10-6-2-1-3-7-10)17(23)11-8-4-5-9-12(11)18(14)24/h1-9,25H,22H2
InChIKey
JYEYYBHLLCRINZ-UHFFFAOYSA-N
Compound name
1-amino-3-chloro-4-hydroxy-2-phenoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.04547 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05275 181.5
[M+Na]+ 388.03469 192.9
[M-H]- 364.03819 189.2
[M+NH4]+ 383.07929 196.0
[M+K]+ 404.00863 186.1
[M+H-H2O]+ 348.04273 173.9
[M+HCOO]- 410.04367 197.0
[M+CH3COO]- 424.05932 192.7
[M+Na-2H]- 386.02014 185.3
[M]+ 365.04492 184.8
[M]- 365.04602 184.8
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

No patent data available for this compound.