CID 101174

7698-98-8

Structural Information

Molecular Formula
C9H9ClO4
SMILES
C1=CC(=CC=C1OCC(C(=O)O)O)Cl
InChI
InChI=1S/C9H9ClO4/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKey
HYNAIYBUUSJFKL-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

216.01894 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.026216 140.4
[M+Na]+ 239.008158 148.3
[M-H]- 215.011664 141.6
[M+NH4]+ 234.052763 158.4
[M+K]+ 254.982098 145.1
[M+H-H2O]+ 199.016200 136.1
[M+HCOO]- 261.017141 156.7
[M+CH3COO]- 275.032791 180.2
[M+Na-2H]- 236.993606 144.2
[M]+ 216.01839142 142.9
[M]- 216.01948858 142.9
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

patents stripe