CID 125425281

5-(ethoxymethyl)furan-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClO4S
SMILES
CCOCC1=CC=C(O1)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClO4S/c1-2-11-5-6-3-4-7(12-6)13(8,9)10/h3-4H,2,5H2,1H3
InChIKey
XXMOGZLTZVZMPJ-UHFFFAOYSA-N
Compound name
5-(ethoxymethyl)furan-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.99101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99829 142.9
[M+Na]+ 246.98023 153.6
[M-H]- 222.98373 148.3
[M+NH4]+ 242.02483 163.4
[M+K]+ 262.95417 151.8
[M+H-H2O]+ 206.98827 139.4
[M+HCOO]- 268.98921 158.0
[M+CH3COO]- 283.00486 181.0
[M+Na-2H]- 244.96568 147.3
[M]+ 223.99046 151.5
[M]- 223.99156 151.5
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

No patent data available for this compound.