CID 3688334

4-ethoxybenzenesulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO3S
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H9ClO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3
InChIKey
XIWSSFMVSKKXRJ-UHFFFAOYSA-N
Compound name
4-ethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

219.9961 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00338 143.7
[M+Na]+ 242.98532 156.7
[M+NH4]+ 238.02992 152.1
[M+K]+ 258.95926 148.7
[M-H]- 218.98882 144.8
[M+Na-2H]- 240.97077 149.9
[M]+ 219.99555 146.7
[M]- 219.99665 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe