CID 8553

2-chloroanthraquinone

Structural Information

Molecular Formula
C14H7ClO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
InChIKey
FPKCTSIVDAWGFA-UHFFFAOYSA-N
Compound name
2-chloroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

10715
Patents

242.01346 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02074 146.8
[M+Na]+ 265.00268 158.9
[M-H]- 241.00618 152.9
[M+NH4]+ 260.04728 167.8
[M+K]+ 280.97662 152.8
[M+H-H2O]+ 225.01072 141.4
[M+HCOO]- 287.01166 164.1
[M+CH3COO]- 301.02731 160.8
[M+Na-2H]- 262.98813 154.5
[M]+ 242.01291 149.8
[M]- 242.01401 149.8
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.