CID 854134

Methyl 6-bromo-2-naphthoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

622
Patents

263.97858 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98586 148.7
[M+Na]+ 286.96780 160.8
[M-H]- 262.97130 156.2
[M+NH4]+ 282.01240 170.2
[M+K]+ 302.94174 150.1
[M+H-H2O]+ 246.97584 148.9
[M+HCOO]- 308.97678 169.2
[M+CH3COO]- 322.99243 193.2
[M+Na-2H]- 284.95325 156.6
[M]+ 263.97803 169.1
[M]- 263.97913 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