CID 5230058

2-[(6-bromonaphthalen-2-yl)oxy]acetic acid

Structural Information

Molecular Formula
C12H9BrO3
SMILES
C1=CC2=C(C=CC(=C2)Br)C=C1OCC(=O)O
InChI
InChI=1S/C12H9BrO3/c13-10-3-1-9-6-11(16-7-12(14)15)4-2-8(9)5-10/h1-6H,7H2,(H,14,15)
InChIKey
PYKIQIUJEIDVFD-UHFFFAOYSA-N
Compound name
2-(6-bromonaphthalen-2-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

279.9735 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98078 149.4
[M+Na]+ 302.96272 153.5
[M+NH4]+ 298.00732 154.2
[M+K]+ 318.93666 153.3
[M-H]- 278.96622 149.9
[M+Na-2H]- 300.94817 152.7
[M]+ 279.97295 148.9
[M]- 279.97405 148.9
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