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]+ 213.057996 137.6
[M+Na]+ 235.039938 143.4
[M-H]- 211.043444 142.8
[M+NH4]+ 230.084543 149.3
[M+K]+ 251.013878 143.5
[M+H-H2O]+ 195.047980 126.1
[M+HCOO]- 257.048921 152.8
[M+CH3COO]- 271.064571 183.1
[M+Na-2H]- 233.025386 141.4
[M]+ 212.05017142 146.5
[M]- 212.05126858 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.