CID 167715130

2901044-12-8

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]+ 245.039766 141.0
[M+Na]+ 267.021708 148.2
[M-H]- 243.025214 147.5
[M+NH4]+ 262.066313 153.4
[M+K]+ 282.995648 146.5
[M+H-H2O]+ 227.029750 130.5
[M+HCOO]- 289.030691 153.0
[M+CH3COO]- 303.046341 190.2
[M+Na-2H]- 265.007156 144.7
[M]+ 244.03194142 152.7
[M]- 244.03303858 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.