CID 119084512

5-ethylfuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClO3S
SMILES
CCC1=CC=C(O1)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClO3S/c1-2-5-3-4-6(10-5)11(7,8)9/h3-4H,2H2,1H3
InChIKey
IKKZOQBZEXWPLL-UHFFFAOYSA-N
Compound name
5-ethylfuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

193.98044 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.987716 135.4
[M+Na]+ 216.969658 146.7
[M-H]- 192.973164 141.0
[M+NH4]+ 212.014263 157.2
[M+K]+ 232.943598 144.6
[M+H-H2O]+ 176.977700 132.2
[M+HCOO]- 238.978641 150.5
[M+CH3COO]- 252.994291 175.9
[M+Na-2H]- 214.955106 140.0
[M]+ 193.97989142 142.2
[M]- 193.98098858 142.2
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