CID 130976620

3-phenylcyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
C1C(CC1S(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H11ClO2S/c11-14(12,13)10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
NBTUKYYILZUSHI-UHFFFAOYSA-N
Compound name
3-phenylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02411 138.1
[M+Na]+ 253.00605 146.8
[M+NH4]+ 248.05065 143.5
[M+K]+ 268.97999 140.8
[M-H]- 229.00955 138.4
[M+Na-2H]- 250.99150 143.5
[M]+ 230.01628 139.1
[M]- 230.01738 139.1
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.