CID 380864

Nsc666604

Structural Information

Molecular Formula
C24H20Br2O4
SMILES
COC1=C(C2=C(C=C(C=C2)Br)C(=C1)C3=CC(=C(C4=C3C=C(C=C4)Br)OC)OC)OC
InChI
InChI=1S/C24H20Br2O4/c1-27-21-11-19(17-9-13(25)5-7-15(17)23(21)29-3)20-12-22(28-2)24(30-4)16-8-6-14(26)10-18(16)20/h5-12H,1-4H3
InChIKey
DNBAPMDFBZFAQC-UHFFFAOYSA-N
Compound name
6-bromo-4-(7-bromo-3,4-dimethoxynaphthalen-1-yl)-1,2-dimethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.97284 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.98012 197.6
[M+Na]+ 552.96206 208.2
[M-H]- 528.96556 208.1
[M+NH4]+ 548.00666 210.8
[M+K]+ 568.93600 195.0
[M+H-H2O]+ 512.97010 202.9
[M+HCOO]- 574.97104 211.3
[M+CH3COO]- 588.98669 239.8
[M+Na-2H]- 550.94751 201.1
[M]+ 529.97229 237.8
[M]- 529.97339 237.8
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.