CID 293261

Nsc159607

Structural Information

Molecular Formula
C20H14Br2O4
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)Br)C3=CC=C(C=C3)OC)Br
InChI
InChI=1S/C20H14Br2O4/c1-25-13-7-3-11(4-8-13)15-17(21)20(24)16(18(22)19(15)23)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3
InChIKey
ZEJKRTFDZAJERK-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,6-bis(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.92587 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.93315 179.8
[M+Na]+ 498.91509 190.0
[M-H]- 474.91859 191.3
[M+NH4]+ 493.95969 193.1
[M+K]+ 514.88903 175.6
[M+H-H2O]+ 458.92313 185.8
[M+HCOO]- 520.92407 194.7
[M+CH3COO]- 534.93972 229.9
[M+Na-2H]- 496.90054 182.0
[M]+ 475.92532 216.3
[M]- 475.92642 216.3
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

No patent data available for this compound.