CID 80655

6-bromo-2-naphthyl acetate

Structural Information

Molecular Formula
C12H9BrO2
SMILES
CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C12H9BrO2/c1-8(14)15-12-5-3-9-6-11(13)4-2-10(9)7-12/h2-7H,1H3
InChIKey
IXQUUGRFWVXBEZ-UHFFFAOYSA-N
Compound name
(6-bromonaphthalen-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

263.97858 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.985856 148.7
[M+Na]+ 286.967798 160.8
[M-H]- 262.971304 156.2
[M+NH4]+ 282.012403 170.2
[M+K]+ 302.941738 150.1
[M+H-H2O]+ 246.975840 148.9
[M+HCOO]- 308.976781 169.2
[M+CH3COO]- 322.992431 193.2
[M+Na-2H]- 284.953246 156.6
[M]+ 263.97803142 169.1
[M]- 263.97912858 169.1
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