CID 62074249

2-(2-acetyl-4-chlorophenoxy)propanoic acid

Structural Information

Molecular Formula
C11H11ClO4
SMILES
CC(C(=O)O)OC1=C(C=C(C=C1)Cl)C(=O)C
InChI
InChI=1S/C11H11ClO4/c1-6(13)9-5-8(12)3-4-10(9)16-7(2)11(14)15/h3-5,7H,1-2H3,(H,14,15)
InChIKey
ZDNSZYZGSDMGRM-UHFFFAOYSA-N
Compound name
2-(2-acetyl-4-chlorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

242.03459 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04187 146.5
[M+Na]+ 265.02381 155.0
[M-H]- 241.02731 149.3
[M+NH4]+ 260.06841 164.4
[M+K]+ 280.99775 152.2
[M+H-H2O]+ 225.03185 142.1
[M+HCOO]- 287.03279 162.9
[M+CH3COO]- 301.04844 190.0
[M+Na-2H]- 263.00926 148.0
[M]+ 242.03404 150.8
[M]- 242.03514 150.8
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