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
6
Annotation Hits

4
References

3091
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 140.0
[M+Na]+ 239.00816 149.0
[M-H]- 215.01166 141.4
[M+NH4]+ 234.05276 158.3
[M+K]+ 254.98210 145.4
[M+H-H2O]+ 199.01620 135.8
[M+HCOO]- 261.01714 157.2
[M+CH3COO]- 275.03279 180.5
[M+Na-2H]- 236.99361 144.3
[M]+ 216.01839 143.4
[M]- 216.01949 143.4
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.