CID 2424049

2-(4-chloro-2,6-dimethylphenoxy)acetic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CC1=CC(=CC(=C1OCC(=O)O)C)Cl
InChI
InChI=1S/C10H11ClO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
ZUQUKAZRAFLJAZ-UHFFFAOYSA-N
Compound name
2-(4-chloro-2,6-dimethylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

3
Patents

214.03967 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.046946 140.6
[M+Na]+ 237.028888 150.8
[M-H]- 213.032394 143.8
[M+NH4]+ 232.073493 160.2
[M+K]+ 253.002828 147.3
[M+H-H2O]+ 197.036930 136.5
[M+HCOO]- 259.037871 158.8
[M+CH3COO]- 273.053521 185.1
[M+Na-2H]- 235.014336 144.3
[M]+ 214.03912142 145.3
[M]- 214.04021858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe