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]+ 183.024106 129.7
[M+Na]+ 205.006048 139.8
[M-H]- 181.009554 134.7
[M+NH4]+ 200.050653 147.9
[M+K]+ 220.979988 137.3
[M+H-H2O]+ 165.014090 126.6
[M+HCOO]- 227.015031 142.1
[M+CH3COO]- 241.030681 179.8
[M+Na-2H]- 202.991496 134.7
[M]+ 182.01628142 136.4
[M]- 182.01737858 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.