CID 20313163

3-(4-chlorophenyl)cyclobutane-1-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

210.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 137.3
[M+Na]+ 233.033968 144.6
[M-H]- 209.037474 142.6
[M+NH4]+ 228.078573 150.0
[M+K]+ 249.007908 143.4
[M+H-H2O]+ 193.042010 127.4
[M+HCOO]- 255.042951 153.3
[M+CH3COO]- 269.058601 186.3
[M+Na-2H]- 231.019416 141.0
[M]+ 210.04420142 146.2
[M]- 210.04529858 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

patents stripe