CID 21118974

Pmxmxvjjwmrklm-uhfffaoysa-n

Structural Information

Molecular Formula
C30H10Br4O2
SMILES
C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=C7C(=C(C(=C8Br)Br)Br)Br
InChI
InChI=1S/C30H10Br4O2/c31-25-23-18-10-12-5-7-15-21-17(13-3-1-2-4-14(13)29(15)35)9-11-6-8-16(22(18)20(11)19(12)21)30(36)24(23)26(32)28(34)27(25)33/h1-10H
InChIKey
PMXMXVJJWMRKLM-UHFFFAOYSA-N
Compound name
1,2,3,4-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]+ 718.748736 171.0
[M+Na]+ 740.730678 173.8
[M-H]- 716.734184 175.3
[M+NH4]+ 735.775283 178.3
[M+K]+ 756.704618 168.2
[M+H-H2O]+ 700.738720 185.9
[M+HCOO]- 762.739661 173.1
[M+CH3COO]- 776.755311 175.9
[M+Na-2H]- 738.716126 173.5
[M]+ 717.74091142 207.9
[M]- 717.74200858 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.