CID 80502464

2408959-00-0

Structural Information

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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 142.3
[M+Na]+ 249.02889 150.0
[M-H]- 225.03239 146.7
[M+NH4]+ 244.07349 155.7
[M+K]+ 265.00283 148.5
[M+H-H2O]+ 209.03693 133.7
[M+HCOO]- 271.03787 157.1
[M+CH3COO]- 285.05352 185.5
[M+Na-2H]- 247.01434 146.6
[M]+ 226.03912 151.2
[M]- 226.04022 151.2
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.