CID 58557762

1-ethylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO2S
SMILES
CCC1(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO2S/c1-2-5(3-4-5)9(6,7)8/h2-4H2,1H3
InChIKey
QNGQHQVBGKAXOY-UHFFFAOYSA-N
Compound name
1-ethylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 127.0
[M+Na]+ 190.99039 137.8
[M-H]- 166.99389 132.1
[M+NH4]+ 186.03499 145.8
[M+K]+ 206.96433 135.1
[M+H-H2O]+ 150.99843 123.9
[M+HCOO]- 212.99937 140.6
[M+CH3COO]- 227.01502 176.2
[M+Na-2H]- 188.97584 133.3
[M]+ 168.00062 133.8
[M]- 168.00172 133.8
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