CID 12603990

2-(4-chlorophenyl)-2-cyclobutylacetic acid

Structural Information

Molecular Formula
C12H13ClO2
SMILES
C1CC(C1)C(C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H13ClO2/c13-10-6-4-9(5-7-10)11(12(14)15)8-2-1-3-8/h4-8,11H,1-3H2,(H,14,15)
InChIKey
CSDOIIDOQOQDME-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-cyclobutylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06041 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06769 143.3
[M+Na]+ 247.04963 149.0
[M-H]- 223.05313 148.1
[M+NH4]+ 242.09423 155.1
[M+K]+ 263.02357 148.0
[M+H-H2O]+ 207.05767 133.0
[M+HCOO]- 269.05861 158.1
[M+CH3COO]- 283.07426 189.0
[M+Na-2H]- 245.03508 145.9
[M]+ 224.05986 151.6
[M]- 224.06096 151.6
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.