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

32
Patents

168.00117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008446 126.5
[M+Na]+ 190.990388 137.6
[M-H]- 166.993894 131.7
[M+NH4]+ 186.034993 143.7
[M+K]+ 206.964328 133.8
[M+H-H2O]+ 150.998430 122.3
[M+HCOO]- 212.999371 140.4
[M+CH3COO]- 227.015021 177.6
[M+Na-2H]- 188.975836 130.8
[M]+ 168.00062142 133.3
[M]- 168.00171858 133.3
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