CID 22883

Cloxyfonac

Structural Information

Molecular Formula
C9H9ClO4
SMILES
C1=CC(=C(C=C1Cl)CO)OCC(=O)O
InChI
InChI=1S/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)
InChIKey
ZJRUTGDCLVIVRD-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

3133
Patents

216.01894 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02622 141.0
[M+Na]+ 239.00816 153.3
[M+NH4]+ 234.05276 148.1
[M+K]+ 254.98210 148.3
[M-H]- 215.01166 141.0
[M+Na-2H]- 236.99361 146.0
[M]+ 216.01839 142.8
[M]- 216.01949 142.8
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

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