CID 155822847

1-(benzenesulfinyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H12O3S
SMILES
C1CC(C1)(C(=O)O)S(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O3S/c12-10(13)11(7-4-8-11)15(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey
YPCHIJNULTUWQB-UHFFFAOYSA-N
Compound name
1-(benzenesulfinyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05072 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05800 143.5
[M+Na]+ 247.03994 149.3
[M+NH4]+ 242.08454 148.8
[M+K]+ 263.01388 143.3
[M-H]- 223.04344 142.7
[M+Na-2H]- 245.02539 148.5
[M]+ 224.05017 143.3
[M]- 224.05127 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.