CID 2452205

3-(3-chloro-5-ethoxy-4-hydroxyphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C11H11ClO4
SMILES
CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)O
InChI
InChI=1S/C11H11ClO4/c1-2-16-9-6-7(3-4-10(13)14)5-8(12)11(9)15/h3-6,15H,2H2,1H3,(H,13,14)/b4-3+
InChIKey
HFFUHTSAEWCRBF-ONEGZZNKSA-N
Compound name
(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03459 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.041866 147.6
[M+Na]+ 265.023808 157.1
[M-H]- 241.027314 149.2
[M+NH4]+ 260.068413 165.3
[M+K]+ 280.997748 152.5
[M+H-H2O]+ 225.031850 143.5
[M+HCOO]- 287.032791 164.4
[M+CH3COO]- 301.048441 186.2
[M+Na-2H]- 263.009256 150.3
[M]+ 242.03404142 151.4
[M]- 242.03513858 151.4
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.