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

3400
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

literature stripe

Patent stripe

patents stripe