CID 72213671

1260664-54-7

Structural Information

Molecular Formula
C11H10Cl2O2
SMILES
C1CC(C1)(C2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H10Cl2O2/c12-8-4-7(5-9(13)6-8)11(10(14)15)2-1-3-11/h4-6H,1-3H2,(H,14,15)
InChIKey
BITFWQFPCMJDQQ-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 141.8
[M+Na]+ 266.99500 151.7
[M+NH4]+ 262.03960 148.3
[M+K]+ 282.96894 145.1
[M-H]- 242.99850 142.1
[M+Na-2H]- 264.98045 148.3
[M]+ 244.00523 142.9
[M]- 244.00633 142.9
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

No patent data available for this compound.