CID 163014

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

Structural Information

Molecular Formula
C30H10Br2Cl2O2
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C5C6=C4C7=C3C(=CC(=C7C=C6C8=C(C5=O)C(=C(C=C8)Br)Br)Cl)C2=O)Cl
InChI
InChI=1S/C30H10Br2Cl2O2/c31-20-6-5-12-15-8-17-21(33)9-18-23-14(11-3-1-2-4-13(11)29(18)35)7-16-22(34)10-19(24(15)26(16)25(17)23)30(36)27(12)28(20)32/h1-10H
InChIKey
PFKGBHLOPWYCNL-UHFFFAOYSA-N
Compound name
1,2-dibromo-6,14-dichloropyranthrene-8,16-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

629.84247 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.84975 216.3
[M+Na]+ 652.83169 228.6
[M-H]- 628.83519 224.5
[M+NH4]+ 647.87629 230.2
[M+K]+ 668.80563 216.7
[M+H-H2O]+ 612.83973 219.3
[M+HCOO]- 674.84067 217.6
[M+CH3COO]- 688.85632 224.8
[M+Na-2H]- 650.81714 221.7
[M]+ 629.84192 255.5
[M]- 629.84302 255.5
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.