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

32
Patents

193.98044 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98772 135.4
[M+Na]+ 216.96966 146.7
[M-H]- 192.97316 141.0
[M+NH4]+ 212.01426 157.2
[M+K]+ 232.94360 144.6
[M+H-H2O]+ 176.97770 132.2
[M+HCOO]- 238.97864 150.5
[M+CH3COO]- 252.99429 175.9
[M+Na-2H]- 214.95511 140.0
[M]+ 193.97989 142.2
[M]- 193.98099 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