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

54
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

No literature data available for this compound.

Patent stripe

patents stripe