CID 84079452

3-(3-chlorophenyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1C(CC1C(=O)O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H11ClO2/c12-10-3-1-2-7(6-10)8-4-9(5-8)11(13)14/h1-3,6,8-9H,4-5H2,(H,13,14)
InChIKey
IHPNWEGGODMXKK-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05203 137.3
[M+Na]+ 233.03397 144.6
[M-H]- 209.03747 142.6
[M+NH4]+ 228.07857 150.0
[M+K]+ 249.00791 143.4
[M+H-H2O]+ 193.04201 127.4
[M+HCOO]- 255.04295 153.3
[M+CH3COO]- 269.05860 186.3
[M+Na-2H]- 231.01942 141.0
[M]+ 210.04420 146.2
[M]- 210.04530 146.2
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

No patent data available for this compound.