CID 424114

1,8-dichloro-10h-anthracen-9-one

Structural Information

Molecular Formula
C14H8Cl2O
SMILES
C1C2=C(C(=CC=C2)Cl)C(=O)C3=C1C=CC=C3Cl
InChI
InChI=1S/C14H8Cl2O/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6H,7H2
InChIKey
AYDNUUZHQKPRKA-UHFFFAOYSA-N
Compound name
1,8-dichloro-10H-anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

261.9952 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00248 151.5
[M+Na]+ 284.98442 163.7
[M-H]- 260.98792 156.6
[M+NH4]+ 280.02902 172.2
[M+K]+ 300.95836 156.4
[M+H-H2O]+ 244.99246 146.8
[M+HCOO]- 306.99340 163.3
[M+CH3COO]- 321.00905 164.7
[M+Na-2H]- 282.96987 158.2
[M]+ 261.99465 155.0
[M]- 261.99575 155.0
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