CID 65988659

2059911-46-3

Structural Information

Molecular Formula
C11H11ClO3
SMILES
C1C(CC1(C2=CC=CC=C2Cl)C(=O)O)O
InChI
InChI=1S/C11H11ClO3/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4,7,13H,5-6H2,(H,14,15)
InChIKey
QEDCCVVLNOZENL-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.03967 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 143.2
[M+Na]+ 249.02889 151.3
[M+NH4]+ 244.07349 148.6
[M+K]+ 265.00283 146.0
[M-H]- 225.03239 142.5
[M+Na-2H]- 247.01434 148.4
[M]+ 226.03912 143.3
[M]- 226.04022 143.3
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.