CID 3052495

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

Structural Information

Molecular Formula
C25H18Br2O4
SMILES
CC(=O)OC1=C(C2=C(C=C1)C=C(C=C2)Br)CC3=C(C=CC4=C3C=CC(=C4)Br)OC(=O)C
InChI
InChI=1S/C25H18Br2O4/c1-14(28)30-24-9-3-16-11-18(26)5-7-20(16)22(24)13-23-21-8-6-19(27)12-17(21)4-10-25(23)31-15(2)29/h3-12H,13H2,1-2H3
InChIKey
UPZPZSWMVWLHIF-UHFFFAOYSA-N
Compound name
[1-[(2-acetyloxy-6-bromonaphthalen-1-yl)methyl]-6-bromonaphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.95715 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.96443 200.4
[M+Na]+ 562.94637 209.2
[M-H]- 538.94987 210.3
[M+NH4]+ 557.99097 212.6
[M+K]+ 578.92031 195.7
[M+H-H2O]+ 522.95441 205.9
[M+HCOO]- 584.95535 212.6
[M+CH3COO]- 598.97100 239.5
[M+Na-2H]- 560.93182 202.7
[M]+ 539.95660 238.2
[M]- 539.95770 238.2
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.