CID 118560

8,16-pyranthrenedione, 6,14-dichloro-

Structural Information

Molecular Formula
C30H12Cl2O2
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C5C6=C4C7=C3C(=CC(=C7C=C6C8=CC=CC=C8C5=O)Cl)C2=O)Cl
InChI
InChI=1S/C30H12Cl2O2/c31-23-12-22-26-18(14-6-2-4-8-16(14)30(22)34)10-20-24(32)11-21-25-17(9-19(23)28(26)27(20)25)13-5-1-3-7-15(13)29(21)33/h1-12H
InChIKey
JZVDCVJKBDSRLT-UHFFFAOYSA-N
Compound name
6,14-dichloropyranthrene-8,16-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

474.02142 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.02870 209.6
[M+Na]+ 497.01064 223.6
[M-H]- 473.01414 216.5
[M+NH4]+ 492.05524 225.4
[M+K]+ 512.98458 214.8
[M+H-H2O]+ 457.01868 196.5
[M+HCOO]- 519.01962 215.3
[M+CH3COO]- 533.03527 218.4
[M+Na-2H]- 494.99609 218.1
[M]+ 474.02087 222.3
[M]- 474.02197 222.3
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.