CID 12442438

3-(benzenesulfonyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C10H12O3S
SMILES
C1C(CC1S(=O)(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C10H12O3S/c11-8-6-10(7-8)14(12,13)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKey
LRSVJGGNPYIXBK-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.05072 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05800 137.6
[M+Na]+ 235.03994 143.4
[M-H]- 211.04344 142.8
[M+NH4]+ 230.08454 149.3
[M+K]+ 251.01388 143.5
[M+H-H2O]+ 195.04798 126.1
[M+HCOO]- 257.04892 152.8
[M+CH3COO]- 271.06457 183.1
[M+Na-2H]- 233.02539 141.4
[M]+ 212.05017 146.5
[M]- 212.05127 146.5
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.