CID 119057073

1-(propan-2-yl)cyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO2S
SMILES
CC(C)C1(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO2S/c1-5(2)6(3-4-6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKey
JEERJZUNIBOLOX-UHFFFAOYSA-N
Compound name
1-propan-2-ylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02411 129.7
[M+Na]+ 205.00605 139.8
[M-H]- 181.00955 134.7
[M+NH4]+ 200.05065 147.9
[M+K]+ 220.97999 137.3
[M+H-H2O]+ 165.01409 126.6
[M+HCOO]- 227.01503 142.1
[M+CH3COO]- 241.03068 179.8
[M+Na-2H]- 202.99150 134.7
[M]+ 182.01628 136.4
[M]- 182.01738 136.4
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.