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

15
Patents

242.03459 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.041866 146.5
[M+Na]+ 265.023808 155.0
[M-H]- 241.027314 149.3
[M+NH4]+ 260.068413 164.4
[M+K]+ 280.997748 152.2
[M+H-H2O]+ 225.031850 142.1
[M+HCOO]- 287.032791 162.9
[M+CH3COO]- 301.048441 190.0
[M+Na-2H]- 263.009256 148.0
[M]+ 242.03404142 150.8
[M]- 242.03513858 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