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 126.5
[M+Na]+ 190.99039 137.6
[M-H]- 166.99389 131.7
[M+NH4]+ 186.03499 143.7
[M+K]+ 206.96433 133.8
[M+H-H2O]+ 150.99843 122.3
[M+HCOO]- 212.99937 140.4
[M+CH3COO]- 227.01502 177.6
[M+Na-2H]- 188.97584 130.8
[M]+ 168.00062 133.3
[M]- 168.00172 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