CID 167715130

Rac-(1s,3r)-3-benzylcyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO2S
SMILES
C1C(CC1S(=O)(=O)Cl)CC2=CC=CC=C2
InChI
InChI=1S/C11H13ClO2S/c12-15(13,14)11-7-10(8-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey
DEIHLNMGGQTYPW-UHFFFAOYSA-N
Compound name
3-benzylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03249 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03977 141.0
[M+Na]+ 267.02171 148.2
[M-H]- 243.02521 147.5
[M+NH4]+ 262.06631 153.4
[M+K]+ 282.99565 146.5
[M+H-H2O]+ 227.02975 130.5
[M+HCOO]- 289.03069 153.0
[M+CH3COO]- 303.04634 190.2
[M+Na-2H]- 265.00716 144.7
[M]+ 244.03194 152.7
[M]- 244.03304 152.7
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.