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]+ 243.04187 147.6
[M+Na]+ 265.02381 157.1
[M-H]- 241.02731 149.2
[M+NH4]+ 260.06841 165.3
[M+K]+ 280.99775 152.5
[M+H-H2O]+ 225.03185 143.5
[M+HCOO]- 287.03279 164.4
[M+CH3COO]- 301.04844 186.2
[M+Na-2H]- 263.00926 150.3
[M]+ 242.03404 151.4
[M]- 242.03514 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.