CID 66482

9,10-anthracenedione, 2-chloro-1,4-dihydroxy-

Structural Information

Molecular Formula
C14H7ClO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)Cl)O
InChI
InChI=1S/C14H7ClO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H
InChIKey
UJCPMVFRZRPROL-UHFFFAOYSA-N
Compound name
2-chloro-1,4-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

274.0033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01058 152.7
[M+Na]+ 296.99252 165.4
[M-H]- 272.99602 156.9
[M+NH4]+ 292.03712 171.5
[M+K]+ 312.96646 159.3
[M+H-H2O]+ 257.00056 148.2
[M+HCOO]- 319.00150 167.4
[M+CH3COO]- 333.01715 194.9
[M+Na-2H]- 294.97797 158.5
[M]+ 274.00275 156.0
[M]- 274.00385 156.0
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