CID 89572

19545-95-0

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CC1=CC(=CC(=C1Cl)C)OCC(=O)O
InChI
InChI=1S/C10H11ClO3/c1-6-3-8(14-5-9(12)13)4-7(2)10(6)11/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
IJOSXVVFEKXIGN-UHFFFAOYSA-N
Compound name
2-(4-chloro-3,5-dimethylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

214.03967 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 140.6
[M+Na]+ 237.02889 150.8
[M-H]- 213.03239 143.8
[M+NH4]+ 232.07349 160.2
[M+K]+ 253.00283 147.3
[M+H-H2O]+ 197.03693 136.5
[M+HCOO]- 259.03787 158.8
[M+CH3COO]- 273.05352 185.1
[M+Na-2H]- 235.01434 144.3
[M]+ 214.03912 145.3
[M]- 214.04022 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