CID 6709

1-chloroanthraquinone

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

3
References

19655
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

literature stripe

Patent stripe

patents stripe