CID 3251420

65355-08-0

Structural Information

Molecular Formula
C20H20Br2O2
SMILES
C1CCC2=C(C(=C(C=C2C1)Br)O)C3=C4CCCCC4=CC(=C3O)Br
InChI
InChI=1S/C20H20Br2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h9-10,23-24H,1-8H2
InChIKey
WDRTXCNGVVLRSZ-UHFFFAOYSA-N
Compound name
3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

449.983 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.99028 177.3
[M+Na]+ 472.97222 173.0
[M+NH4]+ 468.01682 179.8
[M+K]+ 488.94616 177.8
[M-H]- 448.97572 179.7
[M+Na-2H]- 470.95767 177.6
[M]+ 449.98245 176.4
[M]- 449.98355 176.4
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