CID 602761

50921-39-6

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChIKey
XYSRHOKREWGGFE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

344
Patents

210.04475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05203 139.2
[M+Na]+ 233.03397 148.0
[M+NH4]+ 228.07857 145.6
[M+K]+ 249.00791 141.8
[M-H]- 209.03747 139.5
[M+Na-2H]- 231.01942 145.7
[M]+ 210.04420 139.8
[M]- 210.04530 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe