CID 55212029

2-ethylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO2S
SMILES
CCC1CC1S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO2S/c1-2-4-3-5(4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKey
PUQMHQZRKLEKOC-UHFFFAOYSA-N
Compound name
2-ethylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.00117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00845 134.8
[M+Na]+ 190.99039 147.3
[M+NH4]+ 186.03499 143.9
[M+K]+ 206.96433 141.6
[M-H]- 166.99389 141.7
[M+Na-2H]- 188.97584 141.3
[M]+ 168.00062 140.3
[M]- 168.00172 140.3
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

patents stripe