CID 708235

2-((1-bromonaphthalen-2-yl)oxy)acetic acid

Structural Information

Molecular Formula
C12H9BrO3
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)O
InChI
InChI=1S/C12H9BrO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7H2,(H,14,15)
InChIKey
KKZQQUCWIZZKDD-UHFFFAOYSA-N
Compound name
2-(1-bromonaphthalen-2-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

279.9735 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98078 152.0
[M+Na]+ 302.96272 163.4
[M-H]- 278.96622 158.0
[M+NH4]+ 298.00732 172.0
[M+K]+ 318.93666 152.3
[M+H-H2O]+ 262.97076 152.0
[M+HCOO]- 324.97170 171.2
[M+CH3COO]- 338.98735 193.4
[M+Na-2H]- 300.94817 159.5
[M]+ 279.97295 172.1
[M]- 279.97405 172.1
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