CID 6486628

2-phenoxyethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO3S
SMILES
C1=CC=C(C=C1)OCCS(=O)(=O)Cl
InChI
InChI=1S/C8H9ClO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
ISBGBCOJYLFKKE-UHFFFAOYSA-N
Compound name
2-phenoxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

219.9961 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00338 141.3
[M+Na]+ 242.98532 150.8
[M-H]- 218.98882 145.6
[M+NH4]+ 238.02992 161.2
[M+K]+ 258.95926 147.0
[M+H-H2O]+ 202.99336 136.9
[M+HCOO]- 264.99430 156.0
[M+CH3COO]- 279.00995 180.7
[M+Na-2H]- 240.97077 147.0
[M]+ 219.99555 147.3
[M]- 219.99665 147.3
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