CID 10839989

179866-74-1

Structural Information

Molecular Formula
C24H20Br2O4
SMILES
COCOC1=C(C2=C(C=C1)C=C(C=C2)Br)C3=C(C=CC4=C3C=CC(=C4)Br)OCOC
InChI
InChI=1S/C24H20Br2O4/c1-27-13-29-21-9-3-15-11-17(25)5-7-19(15)23(21)24-20-8-6-18(26)12-16(20)4-10-22(24)30-14-28-2/h3-12H,13-14H2,1-2H3
InChIKey
UPLLZDVWXACTEG-UHFFFAOYSA-N
Compound name
6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 198.0
[M+Na]+ 552.96206 207.3
[M-H]- 528.96556 207.9
[M+NH4]+ 548.00666 210.8
[M+K]+ 568.93600 194.0
[M+H-H2O]+ 512.97010 203.4
[M+HCOO]- 574.97104 211.8
[M+CH3COO]- 588.98669 208.8
[M+Na-2H]- 550.94751 202.5
[M]+ 529.97229 237.6
[M]- 529.97339 237.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe