CID 13083381

84485-58-5

Structural Information

Molecular Formula
C11H10Cl2O2
SMILES
C1CC(C1)(C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H10Cl2O2/c12-8-3-2-7(6-9(8)13)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)
InChIKey
LKLDQXZDZVETAB-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

244.00578 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01306 140.8
[M+Na]+ 266.99500 149.7
[M-H]- 242.99850 145.8
[M+NH4]+ 262.03960 154.8
[M+K]+ 282.96894 146.8
[M+H-H2O]+ 227.00304 133.1
[M+HCOO]- 289.00398 152.2
[M+CH3COO]- 303.01963 190.4
[M+Na-2H]- 264.98045 145.2
[M]+ 244.00523 151.0
[M]- 244.00633 151.0
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