CID 160572

8,16-pyranthrenedione, tribromo-

Structural Information

Molecular Formula
C30H11Br3O2
SMILES
C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=C(C(=C(C=C78)Br)Br)Br
InChI
InChI=1S/C30H11Br3O2/c31-21-11-20-19-10-13-5-7-16-24-18(14-3-1-2-4-15(14)29(16)34)9-12-6-8-17(25(19)23(12)22(13)24)30(35)26(20)28(33)27(21)32/h1-11H
InChIKey
UONIWDRQOAPMNV-UHFFFAOYSA-N
Compound name
1,2,3-tribromopyranthrene-8,16-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

232
Patents

639.83093 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.83821 188.8
[M+Na]+ 662.82015 193.8
[M-H]- 638.82365 195.2
[M+NH4]+ 657.86475 199.4
[M+K]+ 678.79409 185.7
[M+H-H2O]+ 622.82819 199.1
[M+HCOO]- 684.82913 193.0
[M+CH3COO]- 698.84478 195.6
[M+Na-2H]- 660.80560 193.4
[M]+ 639.83038 229.1
[M]- 639.83148 229.1
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

patents stripe