CID 13269109

61023-76-5

Structural Information

Molecular Formula
C12H12Cl2O2
SMILES
C1CCC(C1)(C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C12H12Cl2O2/c13-8-3-4-9(10(14)7-8)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKey
CJVNUENSNUSROF-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.02142 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02870 154.0
[M+Na]+ 281.01064 162.9
[M-H]- 257.01414 158.9
[M+NH4]+ 276.05524 175.1
[M+K]+ 296.98458 156.7
[M+H-H2O]+ 241.01868 150.2
[M+HCOO]- 303.01962 165.5
[M+CH3COO]- 317.03527 188.3
[M+Na-2H]- 278.99609 155.5
[M]+ 258.02087 154.2
[M]- 258.02197 154.2
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