CID 75525846

2-(3-chloro-2-ethoxyphenyl)acetic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CCOC1=C(C=CC=C1Cl)CC(=O)O
InChI
InChI=1S/C10H11ClO3/c1-2-14-10-7(6-9(12)13)4-3-5-8(10)11/h3-5H,2,6H2,1H3,(H,12,13)
InChIKey
QQBLIHKAWVVJNI-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-ethoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03967 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.046946 141.5
[M+Na]+ 237.028888 150.7
[M-H]- 213.032394 144.2
[M+NH4]+ 232.073493 160.8
[M+K]+ 253.002828 147.2
[M+H-H2O]+ 197.036930 137.1
[M+HCOO]- 259.037871 159.7
[M+CH3COO]- 273.053521 183.9
[M+Na-2H]- 235.014336 145.8
[M]+ 214.03912142 145.8
[M]- 214.04021858 145.8
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.