CID 22711886

Methyl 4-bromo-1-naphthoate

Structural Information

Molecular Formula
C12H9BrO2
SMILES
COC(=O)C1=CC=C(C2=CC=CC=C21)Br
InChI
InChI=1S/C12H9BrO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,1H3
InChIKey
NSWYFJWAOXYZDF-UHFFFAOYSA-N
Compound name
methyl 4-bromonaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

263.97858 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe