CID 99163

13333-87-4

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
CC1=CC(=CC(=C1OCC(=O)O)Cl)Cl
InChI
InChI=1S/C9H8Cl2O3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKey
SEGKFMXJNIEDQN-UHFFFAOYSA-N
Compound name
2-(2,4-dichloro-6-methylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

37
Patents

233.98505 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 141.0
[M+Na]+ 256.974268 151.9
[M-H]- 232.977774 143.7
[M+NH4]+ 252.018873 160.2
[M+K]+ 272.948208 147.2
[M+H-H2O]+ 216.982310 138.0
[M+HCOO]- 278.983251 154.5
[M+CH3COO]- 292.998901 186.8
[M+Na-2H]- 254.959716 144.6
[M]+ 233.98450142 146.3
[M]- 233.98559858 146.3
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