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

10
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 148.4
[M+Na]+ 265.02381 160.2
[M+NH4]+ 260.06841 155.0
[M+K]+ 280.99775 155.9
[M-H]- 241.02731 148.2
[M+Na-2H]- 263.00926 152.7
[M]+ 242.03404 150.1
[M]- 242.03514 150.1
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