CID 126970913

3-cyclopropylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO2S
SMILES
C1CC1CCCS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO2S/c7-10(8,9)5-1-2-6-3-4-6/h6H,1-5H2
InChIKey
BQAOIGKVDIAZJT-UHFFFAOYSA-N
Compound name
3-cyclopropylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.024106 131.5
[M+Na]+ 205.006048 141.4
[M-H]- 181.009554 136.2
[M+NH4]+ 200.050653 147.9
[M+K]+ 220.979988 137.5
[M+H-H2O]+ 165.014090 126.8
[M+HCOO]- 227.015031 145.2
[M+CH3COO]- 241.030681 179.5
[M+Na-2H]- 202.991496 135.9
[M]+ 182.01628142 138.3
[M]- 182.01737858 138.3
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.