CID 19618076

2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C11H10BrNO4
SMILES
CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)O
InChI
InChI=1S/C11H10BrNO4/c1-2-16-9-4-7(5-13)3-8(12)11(9)17-6-10(14)15/h3-4H,2,6H2,1H3,(H,14,15)
InChIKey
UYFDYMXUGXYSHC-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.9793 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.986576 151.1
[M+Na]+ 321.968518 164.1
[M-H]- 297.972024 154.7
[M+NH4]+ 317.013123 167.6
[M+K]+ 337.942458 153.3
[M+H-H2O]+ 281.976560 143.8
[M+HCOO]- 343.977501 169.8
[M+CH3COO]- 357.993151 207.4
[M+Na-2H]- 319.953966 155.4
[M]+ 298.97875142 166.3
[M]- 298.97984858 166.3
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.