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]+ 299.98658 151.1
[M+Na]+ 321.96852 164.1
[M-H]- 297.97202 154.7
[M+NH4]+ 317.01312 167.6
[M+K]+ 337.94246 153.3
[M+H-H2O]+ 281.97656 143.8
[M+HCOO]- 343.97750 169.8
[M+CH3COO]- 357.99315 207.4
[M+Na-2H]- 319.95397 155.4
[M]+ 298.97875 166.3
[M]- 298.97985 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.