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]+ 183.02411 131.5
[M+Na]+ 205.00605 141.4
[M-H]- 181.00955 136.2
[M+NH4]+ 200.05065 147.9
[M+K]+ 220.97999 137.5
[M+H-H2O]+ 165.01409 126.8
[M+HCOO]- 227.01503 145.2
[M+CH3COO]- 241.03068 179.5
[M+Na-2H]- 202.99150 135.9
[M]+ 182.01628 138.3
[M]- 182.01738 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.