CID 155822070

2490432-71-6

Structural Information

Molecular Formula
C9H17ClO2S
SMILES
CC(C)(C)CC1CC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H17ClO2S/c1-9(2,3)6-7-4-8(5-7)13(10,11)12/h7-8H,4-6H2,1-3H3
InChIKey
REOFIHIBLLZOKV-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)cyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07106 141.1
[M+Na]+ 247.05300 147.5
[M-H]- 223.05650 144.7
[M+NH4]+ 242.09760 154.6
[M+K]+ 263.02694 147.1
[M+H-H2O]+ 207.06104 132.2
[M+HCOO]- 269.06198 150.4
[M+CH3COO]- 283.07763 188.6
[M+Na-2H]- 245.03845 143.7
[M]+ 224.06323 153.5
[M]- 224.06433 153.5
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.