CID 394170

75714-60-2

Structural Information

Molecular Formula
C22H16Br2O2
SMILES
COC1=C(C2=CC=CC=C2C=C1Br)C3=C(C(=CC4=CC=CC=C43)Br)OC
InChI
InChI=1S/C22H16Br2O2/c1-25-21-17(23)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(24)22(20)26-2/h3-12H,1-2H3
InChIKey
DFTUKDIMHCCQIT-UHFFFAOYSA-N
Compound name
3-bromo-1-(3-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

469.9517 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.95898 185.8
[M+Na]+ 492.94092 196.7
[M-H]- 468.94442 196.3
[M+NH4]+ 487.98552 200.9
[M+K]+ 508.91486 182.4
[M+H-H2O]+ 452.94896 192.2
[M+HCOO]- 514.94990 200.2
[M+CH3COO]- 528.96555 197.8
[M+Na-2H]- 490.92637 191.2
[M]+ 469.95115 223.1
[M]- 469.95225 223.1
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