CID 155820693

2460749-14-6

Structural Information

Molecular Formula
C8H15ClO2S
SMILES
CCC1(CC(C1)S(=O)(=O)Cl)CC
InChI
InChI=1S/C8H15ClO2S/c1-3-8(4-2)5-7(6-8)12(9,10)11/h7H,3-6H2,1-2H3
InChIKey
PXCYRKVOJYMJJC-UHFFFAOYSA-N
Compound name
3,3-diethylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05541 135.3
[M+Na]+ 233.03735 142.5
[M-H]- 209.04085 139.0
[M+NH4]+ 228.08195 151.1
[M+K]+ 249.01129 142.0
[M+H-H2O]+ 193.04539 127.6
[M+HCOO]- 255.04633 146.4
[M+CH3COO]- 269.06198 185.5
[M+Na-2H]- 231.02280 139.1
[M]+ 210.04758 148.3
[M]- 210.04868 148.3
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.