CID 165357428

Dtxsid701282698

Structural Information

Molecular Formula
C9H7BrO4
SMILES
C1=CC(=C(C=C1Br)OCC(=O)O)C=O
InChI
InChI=1S/C9H7BrO4/c10-7-2-1-6(4-11)8(3-7)14-5-9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
ZBXHROFCMLRSIA-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.95276 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96004 142.9
[M+Na]+ 280.94198 154.6
[M-H]- 256.94548 148.2
[M+NH4]+ 275.98658 162.8
[M+K]+ 296.91592 144.1
[M+H-H2O]+ 240.95002 142.9
[M+HCOO]- 302.95096 163.6
[M+CH3COO]- 316.96661 188.4
[M+Na-2H]- 278.92743 149.1
[M]+ 257.95221 163.7
[M]- 257.95331 163.7
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

No patent data available for this compound.