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]+ 227.046946 142.3
[M+Na]+ 249.028888 150.0
[M-H]- 225.032394 146.7
[M+NH4]+ 244.073493 155.7
[M+K]+ 265.002828 148.5
[M+H-H2O]+ 209.036930 133.7
[M+HCOO]- 271.037871 157.1
[M+CH3COO]- 285.053521 185.5
[M+Na-2H]- 247.014336 146.6
[M]+ 226.03912142 151.2
[M]- 226.04021858 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.