CID 90476848

85958-94-7

Structural Information

Molecular Formula
C30H10Br4O2
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C5C6=C4C7=C3C(=CC(=C7C=C6C8=C(C5=O)C(=C(C=C8)Br)Br)Br)C2=O)Br
InChI
InChI=1S/C30H10Br4O2/c31-20-6-5-12-15-8-17-21(32)9-18-23-14(11-3-1-2-4-13(11)29(18)35)7-16-22(33)10-19(24(15)26(16)25(17)23)30(36)27(12)28(20)34/h1-10H
InChIKey
OEXVSYXKYKIGMH-UHFFFAOYSA-N
Compound name
1,2,6,14-tetrabromopyranthrene-8,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

717.74146 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.74874 171.0
[M+Na]+ 740.73068 173.8
[M-H]- 716.73418 175.3
[M+NH4]+ 735.77528 178.3
[M+K]+ 756.70462 168.2
[M+H-H2O]+ 700.73872 185.9
[M+HCOO]- 762.73966 173.1
[M+CH3COO]- 776.75531 175.9
[M+Na-2H]- 738.71613 173.5
[M]+ 717.74091 207.9
[M]- 717.74201 207.9
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.