CID 66483

1,5-diamino-2,4,6,8-tetrabromoanthraquinone

Structural Information

Molecular Formula
C14H6Br4N2O2
SMILES
C1=C(C2=C(C(=C1Br)N)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N)Br
InChI
InChI=1S/C14H6Br4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2H,19-20H2
InChIKey
KNOYUKKOVLJJRM-UHFFFAOYSA-N
Compound name
1,5-diamino-2,4,6,8-tetrabromoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

549.7163 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.72358 163.3
[M+Na]+ 572.70552 168.2
[M-H]- 548.70902 167.0
[M+NH4]+ 567.75012 171.8
[M+K]+ 588.67946 155.4
[M+H-H2O]+ 532.71356 179.0
[M+HCOO]- 594.71450 167.4
[M+CH3COO]- 608.73015 245.2
[M+Na-2H]- 570.69097 163.7
[M]+ 549.71575 200.3
[M]- 549.71685 200.3
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

patents stripe