CID 3052492

2-naphthalenol, 1,1'-methylenebis(6-bromo-

Structural Information

Molecular Formula
C21H14Br2O2
SMILES
C1=CC2=C(C=CC(=C2CC3=C(C=CC4=C3C=CC(=C4)Br)O)O)C=C1Br
InChI
InChI=1S/C21H14Br2O2/c22-14-3-5-16-12(9-14)1-7-20(24)18(16)11-19-17-6-4-15(23)10-13(17)2-8-21(19)25/h1-10,24-25H,11H2
InChIKey
BOSDHXOAPYMNSA-UHFFFAOYSA-N
Compound name
6-bromo-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.93604 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.94332 182.8
[M+Na]+ 478.92526 193.2
[M-H]- 454.92876 191.3
[M+NH4]+ 473.96986 197.2
[M+K]+ 494.89920 177.7
[M+H-H2O]+ 438.93330 189.7
[M+HCOO]- 500.93424 195.1
[M+CH3COO]- 514.94989 194.1
[M+Na-2H]- 476.91071 188.0
[M]+ 455.93549 217.3
[M]- 455.93659 217.3
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.